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2011
Ester
Papa, Cassani Stefano, D'Onofrio Elisa, Simona Kovarich,
Magnus Rahmberg, Sara Nilsson, Paola Gramatica, QSAR prediction
of aquatic and mammalian toxicity of triazoles and benzo-triazoles,
SETAC-Europe 2011 - 21th Annual Meeting SETAC-Europe,
Milan, Italy, 15-19 May 2011, poster.
Simona
Kovarich, Barun Bhhatarai, Ester Papa, Magnus Rahmberg,
Sara Nilsson, Tao Liu, Tomas Öberg, Nina Jeliazkova, Nikolay
Kochev, Ognyan Pukalov, Wolfram Teetz, Stefan Brandmaier,
Igor V. Tetko, Paola Gramatica , QSAR and QSPR models
for emerging pollutants: WP3 activities within the FP7
European Project CADASTER , SETAC-Europe 2011 - 21th Annual
Meeting SETAC-Europe, Milan, Italy, 15-19 May 2011, poster.
Partha
Pratim Roy, Ester Papa, Paola Gramatica, Exploring the
QSARs for OH Tropospheric Degradation of VOCs using freely
available online descriptors, SETAC-Europe 2011 - 21th
Annual Meeting SETAC-Europe, Milan, Italy, 15-19 May 2011,
poster.
Barun
Bhhatarai, Paola Gramatica, Physico-chemical property
prediction of emerging pollutants: PFC and (B)TAZ for
environmental distribution, SETAC-Europe 2011 - 21th Annual
Meeting SETAC-Europe, Milan, Italy, 15-19 May 2011, poster.
Nicola
Chirico, Ester Papa and Paola Gramatica, On the agreement
of external validation parameters for linear regression
QSAR models, SETAC-Europe 2011 - 21th Annual Meeting SETAC-Europe,
Milan, Italy, 15-19 May 2011, poster.
Mara
Luini, Ester Papa, Simona Kovarich, State of art of lanthanum-modified
clays: concerns and evidence. SETAC-Europe 2011 - 21th
Annual Meeting SETAC-Europe, Milan, Italy, 15-19 May 2011,
poster.
2010
Paola
Gramatica, Barun Bhhatarai, Simona Kovarich and Ester
Papa, QSAR prediction of physico-chemical properties and
biological activities of emerging pollutants: brominated
flame retardants and perfluorinated-chemicals, Sixth Indo-US
Workshop on Mathematical Chemistry, Kolkata (India), 8-10
January 2010
Ester
Papa and Paola Gramatica, PBT screening goes "green",
SETAC-Europe 2010 - 20th Annual Meeting SETAC-Europe,
Seville, Spain, 23-27 May 2010, platform.
Simona
Kovarich, Paola Gramatica, Ester Papa, QSAR prediction
of the Endocrine Activity of perfluorinated compounds,
SETAC-Europe 2010 - 20th Annual Meeting SETAC-Europe,
Seville, Spain, 23-27 May 2010, poster.
Ester
Papa, Mara Luini, Paola Gramatica, Viviana Consonni, Davide
Ballabio, Roberto Todeschini, Regression and Classification
QSAR Models for the prediction of Bioconcentration Factor
in fish, SETAC-Europe 2010 - 20th Annual Meeting SETAC-Europe,
Seville, Spain, 23-27 May 2010, poster.
Ester
Papa, Alessandra Moccia, Paola Gramatica, Jon A. Arnot,
Don Mackay, Metabolic biotransformation in fish: a QSAR
Approach, SETAC-Europe 2010 - 20th Annual Meeting SETAC-Europe,
Seville, Spain, 23-27 May 2010, poster.
Simona
Kovarich, Paola Gramatica, Ester Papa, Classification
QSAR Models for the prediction of endocrine disruption
potencies of brominated flame retardants, SETAC-Europe
2010 - 20th Annual Meeting SETAC-Europe, Seville, Spain,
23-27 May 2010, poster.
Jiazhong
Li, Paola Gramatica, New Classifications of Endocrine
Dsruptors: Androgen and Estrogen Receptor Binders, 14th
International Worskshop on QSAR in Environmental and Health
Sciences, Montreal, Canada, 24-28 maggio 2010, platform.
Simona
Kovarich, Paola Gramatica, Ester Papa, QSAR models for
the prediction of endocrine disruption potencies of brominated
flame retardants: a classification approach, 14th International
Worskshop on QSAR in Environmental and Health Sciences,
Montreal, Canada, 24-28 maggio 2010. poster
Ester
Papa, Alessandra Moccia, Paola Gramatica, Jon A. Arnot,
Don Mackay, Predicting metabolic biotransformation in
fish by QSAR, 14th International Worskshop on QSAR in
Environmental and Health Sciences, Montreal, Canada, 24-28
maggio 2010, poster
Barun
Bhhatarai, Paola Gramatica, Oral LD50 Toxicity Modeling
of Per- and Polyfluorinated Chemicals on Rat and Mouse,
14th International Worskshop on QSAR in Environmental
and Health Sciences, Montreal, Canada, 24-28 maggio 2010,
poster
Paola
Gramatica, Ester Papa, Mara Luini, Elena Monti, Marzia
B. Gariboldi, Mauro Ravera, Elisabetta Gabano, Luca Gaviglio,
Domenico Osella, QSAR approach for the modeling and design
of antitumoral Pt(IV) complexes, 14th International Worskshop
on QSAR in Environmental and Health Sciences, Montreal,
Canada, 24-28 maggio 2010, poster.
E.
Papa, P. Gramatica, Chemometric Approaches for Screening
and prioritization of POPs, EDs and PBTs by QSAR, VII
Colloquium Chemometricum Mediterraneum, Granada (Spain),
24-28 June 2010, platform.
Bhhatarai
B., Teetz W., Öberg T., Liu T., Jeliazkova N., Kochev
N., Pukalov O., Tetko I., Gramatica P. QSPR Models for
Predictions and Data Quality Assurances: Melting Point
and Boiling Point of Perfluorinated Chemicals. 2nd international
workshop on new developments of fluorinated surfactants.
Idstein, Germany, Jun 17-19, 2010.
Barun
Bhhatarai, Paola Gramatica, Rodent Toxicity Studies on
Perfluorinated Chemicals for REACH. 18th European Symposium
on QSARs (EuroQSAR2010) Rhodes (Greece)19-24 settembre,
Plenary invited lecture.
Barun
Bhhatarai, Wolfram Teetz, Tomas Öberg, Tao Liu, Nina Jeliazkova,
Nikolay Kochev , Ognyan Pukalov, Igor V. Tetko, Simona
Kovarich and Paola Gramatica, QSPR Models for Predictions
and Data Qualità assurances: Melting Point and Boiling
Point of Perfluorinated Chemicals, 18th European Symposium
on QSARs (EuroQSAR2010) Rhodes (Greece)19-24 settembre,
poster.
Ester
Papa, Simona Kovarich, Paola Gramatica, CADASTER Models
for Brominated Flame Retardants. 18th European Symposium
on QSARs (EuroQSAR2010) Rhodes (Greece)19-24 settembre,
poster.
Ester
Papa, Paola Gramatica, Mara Luini, Elena Monti, Marzia
B. Gariboldi, Mauro Ravera, Elisabetta Gabano, Luca Gaviglio,
Domenico Osella, QSAR APPROACH FOR THE MODELING AND DESIGN
OF ANTITUMORAL Pt(IV) COMPLEXES 18th European Symposium
on QSARs (EuroQSAR2010) Rhodes (Greece)19-24 settembre,
poster.
Jiazhong
Li, Paola Gramatica , Ester Papa, Mara Luini , Andrea
Mauri, Marco Tasca, Viviana Consonni and Roberto Todeschini,
QSAR Classification Analysis of Estrogen Receptor Binders,
18th European Symposium on QSARs (EuroQSAR2010) Rhodes
(Greece)19-24 settembre, poster.
2009
Papa,
E.; Kovarich, S.; Gramatica, P. QSAR modelling of the
endocrine disrupting activity of Brominated Flame Retardants
(BFRs), SETAC-Europe 2009 - 19th Annual Meeting SETAC-Europe,
Göteborg, Sweden, 31 May - 4 June 2009
Papa E.; Luini M.; Gramatica P. Chemometrical approaches
for the characterization of the environmental behaviour
of fragrances, SETAC-Europe 2009 - 19th Annual Meeting
SETAC-Europe, Göteborg, Sweden, 31 May - 4 June 2009,
poster.
Papa
E.; Gramatica P. ,Chemometrical tools for prioritization
of POPs, EDs and PBTs, SETAC-Europe 2009 - 19th Annual
Meeting SETAC-Europe, Göteborg, Sweden, 31 May - 4 June
2009 platform
Ester
Papa, Simona Kovarich, Gianna Serafina Monti, Paola Gramatica,
Marco Vighi, Pesticides and Narcotics toxicity to Vibrio
fischery studied by QSAR, SETAC-Europe 2009 - 19th Annual
Meeting SETAC-Europe, Göteborg, Sweden, 31 May - 4 June
2009
Bhhatarai
B.; Papa E.; Gramatica P. QSAR studies on Mouse Inhalation
LC50 data of perfluoro- compounds, ICCE 2009 - 12th EuCheMS
International Conference on Chemistry & the Environment,
Stockholm, Sweden, 14-17 June 2009, , poster,
Papa,
E.; Kovarich, S.; Gramatica, P. QSAR modelling of the
endocrine disrupting activity of Brominated Flame Retardants
(BFRs), poster, CMTPI-2009 - Fifth International Symposium
on Computational Methods in Toxicology and Pharmacology
Integrating Internet Resources, 4-8 July Istanbul, Turkey
Barun
Bhhatarai, Paola Gramatica, Mara Luini, Ester Papa, QSAR
modelling of toxicity endpoints of emerging pollutants:
Fragrances and Perfluorinated compounds, CMTPI-2009 -
Fifth International Symposium on Computational Methods
in Toxicology and Pharmacology Integrating Internet Resources,
4-8 July Istanbul, Turkey Major talk
Jiazhong
Li and Paola Gramatica, Pay attention to molecular structures,
endpoints' values and predictivity parameters, CMTPI-2009
- Fifth International Symposium on Computational Methods
in Toxicology and Pharmacology Integrating Internet Resources,
4-8 July Istanbul, Turkey
Gramatica,
P; Papa, E , Prediction of PAH and Nitro-PAH mutagenicity
and PAC genotoxicity by QSAR modeling, EUROTOX2009, 13-16
September 2009, Dresden (Germany) Continuing Education
Course by P.Gramatica, Proceedings in TOXICOLOGY LETTERS,
189, Page: S7, ( 2009) Invited lecture
Barun
Bhhatarai, Paola Gramatica, QSPR Studies for predicting
physico-chemical properties of perfluorinated compounds,
CC2009: Conferentia Chemometrica 2009, 27-30 September,
Siofok (Hungary), Platform
Jiazhong
Li, Lili Xi, Ester Papa, Paola Gramatica, Classification
of androgen receptor antagonists with various scaffolds,
CC2009: Conferentia Chemometrica 2009, 27-30 September,
Siofok (Hungary), Poster
Paola
Gramatica and Ester Papa, Chemical Screenings for REACH
by multivariate analysis and QSAR modelling, "CHIMICA
VERDE,CHIMICA SICURA" Pavia, 20-22 Ottobre 2009, poster.
Paola
Gramatica, La modellistica QSAR per l'identificazione
delle sostanze più periscolose: potenziali ambiti di applicazione
per la nuova normativa europea REACH, Seminario REACH
in Ecomondo, Rimini, 29 ottobre 2009.
Ester
Papa, Paola Gramatica, Assessment of POPs under the REACH
regulation: QSAR approaches, SETAC North America 30th
Annual Meeting, New Orleans, USA, 19 - 23 November 2009.
Poster.
Ester
Papa, Paola Gramatica, QSPRs as support for the EU REACH
regulation: ED, POP and PBT identification from molecular
structure. SETAC North America 30th Annual Meeting, New
Orleans, USA, 19 - 23 November 2009, platform.
Ester
Papa, Simona Kovarich and Paola Gramatica QSPR prediction
of physico-chemical properties and endocrine disrupting
activity of brominated flame retardants, SETAC North America
30th Annual Meeting, New Orleans, USA, 19 - 23 November
2009, platform.
Barun
Bhhatarai, Paola Gramatica. Perfluoro Toxicity (LC50 inhalation)
in Rattus and Mus species using QSAR, SETAC North America
30th Annual Meeting, New Orleans, USA, 19 - 23 November
2009, poster.
2008
Ester
Papa, Simona Kovarich, and Paola Gramatica, QSPR prediction
of physico-chemical properties and degradation of PBDEs,
platform, 18th Annual Meeting SETAC-Europe (Warsaw, Poland,
25-29 May 2008)
Ester Papa, Simona Kovarich, and Paola Gramatica, QSAR
prediction of endocrine disruption potencies of brominated
flame retardants, 18th Annual Meeting SETAC-Europe (Warsaw,
Poland, 25-29 May 2008)
Ester
Papa, Paola Gramatica, QSPR prediction of VOCs degradability
by NO3 radical nighttime degradation, 18th Annual Meeting
SETAC-Europe (Warsaw, Poland, 25-29 May 2008)
Ester
Papa, Simona Kovarich, and Paola Gramatica, QSPR prediction
of physico-chemical properties and degradation of PBDEs,
platform, 13th Int. Workshop on QSARs in the Environmental
Sciences (Syracuse, N.Y., USA, 8-12 June 2008)
Ester Papa, Simona Kovarich, and Paola Gramatica, QSAR
prediction of endocrine disruption potencies of brominated
flame retardants, , 13th Int. Workshop on QSARs in the
Environmental Sciences (Syracuse, N.Y., USA, 8-12 June
2008)
Ester
Papa, Paola Gramatica, QSPR prediction of VOCs degradability
by NO3 radical nighttime degradation, 13th Int. Workshop
on QSARs in the Environmental Sciences (Syracuse, N.Y.,
USA, 8-12 June 2008)
Willie
J.G.M. Peijnenburg, Mojca Durjava, Paola Gramatica, Erik
Furusjö, Tomas Öberg, Nina Jeliazkova, Mark A.J. Huijbregts,
Mike Comber, Igor V. Tetko, Case studies on the Development
and Application of in silico Techniques for Environmental
hazard and Risk assessment (CADASTER), 13th Int. Workshop
on QSARs in the Environmental Sciences (Syracuse, N.Y.,
USA, 8-12 June 2008)
Ester
Papa, Simona Kovarich e Paola Gramatica, Predizione delle
proprietà chimico-fisiche dei PBDS mediante QSPR, XI°
Congr. Naz. di Chimica dell'Ambiente e dei Beni Culturali
(SCI), Muggia (Trieste), 16-20 Giugno 2008. Oral
Ester
Papa, Paola Gramatica, Predizione su base strutturale
della degradazione notturna di composti organici volatili
ad opera del radicale nitrato, XI° Congr. Naz. di Chimica
dell'Ambiente e dei Beni Culturali (SCI), Muggia (Trieste),
16-20 Giugno 2008.
Ester
Papa, Simona Kovarich e Paola Gramatica, Predizioni QSAR
della potenziale attività dei ritardanti di fiamma bromurati
come interfereni endocrini, XI° Congr. Naz. di Chimica
dell'Ambiente e dei Beni Culturali (SCI), Muggia (Trieste),
16-20 Giugno 2008.
Willie
J.G.M. Peijnenburg, Mojca Durjava, Paola Gramatica, Erik
Furusjö, Tomas Öberg, Nina Jeliazkova, Mark A.J. Huijbregts,
Mike Comber, Igor V. Tetko, Case studies on the Development
and Application of in silico Techniques for Environmental
hazard and Risk assessment (CADASTER), 1st International
Workshop "Fluorinated Surfactants: New Developments",
June 26-28, 2008, Idstein, Germany
Willie
J.G.M. Peijnenburg, Mojca Durjava, Paola Gramatica, Erik
Furusjö, Tomas Öberg, Nina Jeliazkova, Mark A.J. Huijbregts,
Mike Comber, Igor V. Tetko, Case studies on the Development
and Application of in silico Techniques for Environmental
hazard and Risk assessment (CADASTER), Workshop Mathematics
in Biosciences, July 21-23, 2008, Munich, Germany
Willie
J.G.M. Peijnenburg, Mojca Durjava, Paola Gramatica, Erik
Furusjö, Tomas Öberg, Nina Jeliazkova, Mark A.J. Huijbregts,
Mike Comber, Igor V. Tetko, Case studies on the Development
and Application of in silico Techniques for Environmental
hazard and Risk assessment (CADASTER), 17th European Symposium
on QSARs & Omics Technologies and Systems Biology Uppsala,
Sweden. Sep 21-26 2008
Ester
Papa, Simona Kovarich e Paola Gramatica, QSPR prediction
of physico-chemical properties and endocrine disruption
activity of brominated flame retardants, 17th European
Symposium on QSARs & Omics Technologies and Systems Biology
Uppsala, Sweden. Sep 21-26 2008
Willie
J.G.M. Peijnenburg, Mojca Durjava, Paola Gramatica, Erik
Furusjö, Tomas Öberg, Nina Jeliazkova, Mark A.J. Huijbregts,
Mike Comber, Igor V. Tetko, Case studies on the Development
and Application of in silico Techniques for Environmental
hazard and Risk assessment (CADASTER), International Symposium
on Green Chemistry for Environment and Health, Neuherberg,
Germany, October 13-16; 2008
2007
Paola
Gramatica and Ester Papa, PBTs SCREENING BY MULTIVARIATE ANALYSIS
AND QSAR MODELING, XIV° MESAEP meeting, Siviglia (Spain), 10-14
Oct. 2007.
Paola
Gramatica and Ester Papa, PREDICTION OF POLYCYCLIC AROMATIC
COMPOUNDS' MUTAGENICITY AND GENOTOXICITY BY QSAR CLASSIFICATION
MODELS, XIV° MESAEP meeting, Siviglia (Spain), 10-14 Oct. 2007.
Huanxiang
Liu, Ester Papa, Paola Gramatica, IN SILICO SCREENING OF
ESTROGEN-LIKE CHEMICALS BASED ON QSAR MODELS, Platform, XIV°
MESAEP meeting, Siviglia (Spain), 10-14 Oct. 2007.
Ester
Papa, Huanxiang Liu e Paola Gramatica, SCREENING, BASATO SU
MODELLI QSAR, DI COMPOSTI CHIMICI AD ATTIVITA' ESTROGENICA, X°
Congr. Naz. di Chimica dell'Ambiente e dei Beni Culturali (SCI),
Acaya (Lecce), 11-15 Giugno 2007.
Ester Papa
e Paola Gramatica, APPROCCI QSAR PER L' IDENTIFICAZIONE DI
COMPOSTI CHIMICI PERSISTENTI, BIOACCUMULABILI E TOSSICI (PBTs),
COME SUPPORTO PREDITTIVO PER IL REACH E LA GREEN CHEMISTRY, orale,
X° Congr. Naz. di Chimica dell'Ambiente e dei Beni Culturali
(SCI), Acaya (Lecce), 11-15 Giugno 2007. Platform.
Paola
Gramatica , Pamela Pilutti e Ester Papa, PREVISIONE DELLA
MUTAGENICITA' E GENOTOSSICITA' DI COMPOSTI AROMATICI POLICICLICI
MEDIANTE MODELLI QSAR, X° Congr. Naz. di Chimica dell'Ambiente e
dei Beni Culturali (SCI), Acaya (Lecce), 11-15 Giugno 2007.
Huanxiang
Liu, Ester Papa, Paola Gramatica, IN SILICO SCREENING OF
ESTROGEN-LIKE CHEMICALS BASED ON QSAR MODELS, Platform, CMTPI
2007, Moscow (Russia) 1-5 Setp. 2007.
Paola
Gramatica and Huanxiang Liu , QUANTITATIVE STRUCTURE-ACTIVITY
RELATIONSHIP STUDY OF SELECTIVE LIGANDS FOR THE THYROID HORMONE
RECEPTOR ???CMTPI 2007, Moscow (Russia) 1-5 Setp. 2007.
Paola
Gramatica, Pamela Pilutti and Ester Papa , PREDICTION OF
POLYCYCLIC AROMATIC COMPOUNDS' MUTAGENICITY AND GENOTOXICITY BY
QSAR CLASSIFICATION MODELS, CMTPI 2007, Moscow (Russia) 1-5 Setp.
2007.
Paola
Gramatica and Ester Papa, PBTs SCREENING BY MULTIVARIATE ANALYSIS
AND QSAR MODELING, CMTPI 2007, Moscow (Russia) 1-5 Setp. 2007.
E. Papa,
P.Gramatica, La modellistica QSAR ed i potenziali ambiti di
applicazione per la nuova normativa europea REACh delle sostanze
chimiche. Conferenza "Il regolamento REACh: dagli obblighi
alle opportunità" (Università degli Studi di Padova, 28
Maggio 2007). Conferenza su invito.
Ester
Papa, Paola Gramatica, Screening of POPs by QSAR Classification
models.17th Annual Meeting SETAC-Europe (Porto, Portugal, 20-24
May 2007). Platform.
Huanxiang
Liu, Ester Papa, Paola Gramatica, In silico Screening of
Estrogen-Like Chemicals Based on QSAR Models, 17th Annual Meeting
SETAC-Europe (Porto, Portugal, 20-24 May 2007)
Ester
Papa, Paola Gramatica, Similarity analysis by Kohonen-Self
Organizing Maps (SOM) of structure and toxic mode of action, 17th
Annual Meeting SETAC-Europe (Porto, Portugal, 20-24 May 2007)
Ester
Papa, Paola Gramatica, PBTs screening by multivariate analysis and
QSAR modelling, 17th Annual Meeting SETAC-Europe (Porto, Portugal,
20-24 May 2007)
2006
Ester
Papa, Luca Grasso, Marc H.G. Berntssen, and Paola Gramatica QSAR
Models of PCDD/Fs and PCBs Biomagnification in Atlantic salmon
(Salmo salar) 16th Annual Meeting SETAC-Europe (The Hague, Holland,
7-12 May 2006)
Ester
Papa, Elisa Giani, Paola Gramatica Prediction of Soil Sorption
Partition Coefficient of Heterogeneous Organic Non-Ionic Compounds
from Molecular Structure. 16th Annual Meeting SETAC-Europe (The
Hague, Holland, 7-12 May 2006)
Ester
Papa, Pamela Pilutti, Paola Gramatica QSAR 2006 Classification and
prediction, by QSAR modeling, of human cell mutagenicity of PAHs
sorbed on urban aerosol. 16th Annual Meeting SETAC-Europe (The
Hague, Holland, 7-12 May 2006)
Ester
Papa, Paola Gramatica Structurally-Based PBT Profiler: the PBT
index from molecular structure. 16th Annual Meeting SETAC-Europe
(The Hague, Holland, 7-12 May 2006)
Ester
Papa, Paola Gramatica SCREENING OF POPs BY CLASSIFICATION MODELS:
A COMPARATIVE STUDY. 12th International Workshop on QSAR in
Environmental Toxicology (Lyon, 8-12 May 2006)
Paola
Gramatica, Pamela Pilutti and Ester Papa STATISTICALLY VALIDATED
QSAR MODELLING OF NITRO-PAH MUTAGENICITY 12th International
Workshop on QSAR in Environmental Toxicology (Lyon, 8-12 May 2006)
Paola
Gramatica, Pamela Pilutti and Ester Papa CLASSIFICATION QSARs FOR
THE PREDICTION OF PAH MUTAGENICITY ON HUMAN CELLS 12th
International Workshop on QSAR in Environmental Toxicology (Lyon,
8-12 May 2006)
Ester
Papa, Paola Gramatica SIMPLE QSAR MODELS TO SCREEN PBTs 12th
International Workshop on QSAR in Environmental Toxicology (Lyon,
8-12 May 2006)
Paola
Gramatica PRINCIPLES OF QSAR MODEL VALIDATION: MYTHS AND
MISCONCEPTIONS 12th International Workshop on QSAR in
Environmental Toxicology (Lyon, 8-12 May 2006)
Paola
Gramatica, Elisa Giani and Ester Papa Approaches for validation
and consensus modeling of Koc (Platform) 12th International
Workshop on QSAR in Environmental Toxicology (Lyon, 8-12 May 2006)
Ester
Papa, Luca Grasso, Marc H.G. Berntssen, Paola Gramatica Modelli
QSAR per la Biomagnificazione di PCDD/Fs e PCBs in Salmo salar
22° Congresso Naz. Società Chimica Italiana, Firenze, 10-15
Sett. 2006
Paola
Gramatica, Elisa Giani, Ester Papa Predizione del Koc di Composti
Organici non-ionici dalla Struttura Molecolare 22° Congresso Naz.
Società Chimica Italiana, Firenze, 10-15 Sett. 2006
Paola
Gramatica, Pamela Pilutti, Ester Papa Modelli QSAR per la
predizione della mutagenicità di nitro-IPA 22° Congresso Naz.
Società Chimica Italiana, Firenze, 10-15 Sett. 2006
Paola
Gramatica, Pamela Pilutti and Ester Papa Modelli di
classificazione QSAR per la predizione della mutagenicità degli
IPA in cellule umane. 22° Congresso Naz. Società Chimica
Italiana, Firenze, 10-15 Sett. 2006
Ester
Papa, Paola Gramatica Applicazione di Modelli QSAR per lo
screening di PBT (orale) 22° Congresso Naz. Società Chimica
Italiana, Firenze, 10-15 Sett. 2006
2005
Gramatica
P. Statistical validation and applicability domain of QSAR models.
UK QSAR & Chemoinformatics Spring Meeting 2005 -University of
Surrey - Guildford (UK), 13-14 April 2005. Invited lecture
Gramatica
P. WHIMs and shape. 15th Annual Meeting SETAC-Europe (Lille, 22-26
May 2005)
Gramatica
P. and Papa E. Statistical validation of QSAR models. 15th Annual
Meeting SETAC-Europe (Lille, 22-26 May 2005). Platform.
Gramatica,
P., Marotta, R., Papa E., Minuti, L., Morozzi, G., and Taticchi,
A. QSAR modelling of PAH mutagenicity by classification methods
based on theoretical molecular descriptors. 15th Annual Meeting
SETAC-Europe (Lille, 22-26 May 2005)
Papa, E.,
Gramatica,P . and Dearden J.C. Linear Regression Models for the
prediction of Bioconcentration Factor by physicochemical
properties and structural theoretical molecular descriptors. 15th
Annual Meeting SETAC-Europe (Lille, 22-26 May 2005)
Gramatica,
P., Papa, E., Giani, E., Cenci, R. and Preatoni, D. Organic
pollutant uptake by vegetable probes and biomonitoring of
moss-linked metals in regions of Northern Italy. 15th Annual
Meeting SETAC-Europe (Lille, 22-26 May 2005)
Gramatica
P. Experience in QSAR model validation and in Kohonen-Neural
Networks for data splitting. ECB Meeting on the Validation of
neural network models according to the OECD principles. (JRC
Ispra, 7- 8 July 2005) Invited lecture
Gramatica,
P., Marotta, R., Papa E., Minuti, L., Morozzi, G., and Taticchi,
A. QSAR modelling of PAH mutagenicity by classification methods
based on theoretical molecular descriptors.10th EuCheMS-DCE
Int.Conf. (4-9 September 2005)
P.
Gramatica, E. Giani and E. Papa Development and statistical
validation of QSAR models for regulatory acceptance in managing
the chemical risk: BCF and Koc. 10th EuCheMS-DCE Int.Conf. (4-9
September 2005)
P.
Gramatica, E. Giani, E. Papa, D. Preatoni, R. J. A. Jones and R.
M. Cenci Heavy metals in soils and mosses of Piedmont and Aosta
Valley (Italy): a multivariate and GIS approach. 10th EuCheMS-DCE
Int.Conf. (4-9 September 2005)
E. Papa
and P. Gramatica Structurally-based tools for the screening and
prediction of the environmental persistence of organic chemicals.
10th EuCheMS-DCE Int.Conf. (4-9 September 2005) Platform.
E. Papa,
E. Giani and P. Gramatica Organic pollutant uptake and
bioconcentration in vegetation. 10th EuCheMS-DCE Int.Conf. (4-9
September 2005)
E. Papa,
M. Cronin and P. Gramatica QSAR models for the acute toxicity of
heterogeneous chemicals in Vibrio Fischeri 10th EuCheMS-DCE
Int.Conf. (4-9 September 2005)
E.Papa, E.
Giani and P. Gramatica Organic pollutant uptake and
bioconcentration in vegetation. XV Congresso Nazionale SitE 2005-
Torino 12-14 Settembre 2005
E. Papa
and P. Gramatica Structurally-based tools for the screening and
prediction of the environmental persistence of organic chemicals.
XV Congresso Nazionale SitE 2005- Torino 12-14 Settembre 2005,
orale.
Gramatica,
P., Marotta, R., Papa E., Minuti, L., Morozzi, G., and Taticchi,
A. QSAR modelling of PAH mutagenicity by classification methods
based on theoretical molecular descriptors. 13th Inter. Symp. of
MESAEP (Thessaloniki-Grecia, 8-12 October 2005)
P.
Gramatica, E.Giani and E. Papa Development and statistical
validation of QSAR models for regulatory acceptance in managing
the chemical risk: BCF and Koc. 13th Inter. Symp. of MESAEP (Thessaloniki-Grecia,
8-12 October 2005)
Gramatica,
P., Giani, E., Papa, E., Preatoni, D., Jones, R. J. A., Musmeci,
L. and Cenci, R. Monitoring heavy metals in three regions of Italy
ising mosses and soils as indicators: a multivariate and GUS
approach. 13th Inter. Symp. of MESAEP (Thessaloniki-Grecia, 8-12
October 2005)
E.Papa and
P. Gramatica Structurally-based tools for the screening and the
prediction of the environmental persistence of organic chemicals.
13th Inter. Symp. of MESAEP (Thessaloniki-Grecia, 8-12 October
2005) Platform.
E. Papa,
E. Giani and P. Gramatica Organic pollutant uptake and
bioconcentration in vegetation. 13th Inter. Symp. of MESAEP (Thessaloniki-Grecia,
8-12 October 2005)
E. Papa,
M. Cronin and P. Gramatica SAR models for the acute toxicity of
heterogeneous chemicals in Vibrio Fischeri. 13th Inter. Symp. of
MESAEP (Thessaloniki-Grecia, 8-12 October 2005)
P.Gramatica
L'approccio modellistico QSAR (Quantitative Structure Activity
Relationships) agli interferenti endocrini Atti del Convegno
"La Ricerca Biologica e Clinica sugli Interferenti Endocrini:
Attualità e Prospettive" 27-28 Ottobre 2005- Roma -
Conferenza su invito
2004
Gramatica
P.Papa E. and Pilutti P.(2004)Validated QSAR prediction of VOC
tropospheric degradation by OH radical. 14th Annual Meeting
SETAC-Europe (Prague, 18-23 April 2004)
Gramatica
P., Battaini F., Papa E., Cenci, R.M. and Preatoni D. (2004)
Biomonitoring of moss-linked trace elements in Italian regions.
14th Annual Meeting SETAC-Europe (Prague, 18-23 April 2004)
Gramatica
P., Consonni V. and Pavan M. (2004) Structural-toxicity mode of
action similarity analysis by Kohonen Artificial Neural Networks (K-ANN).
14th Annual Meeting SETAC-Europe (Prague, 18-23 April 2004)
Gramatica
P., Papa E. andVilla F.(2004) QSARs prediction of acute toxicity
of organic molecules in the Fathead Minnow (Pimephales promelas).
14th Annual Meeting SETAC-Europe (Prague, 18-23 April 2004)
Gramatica
P., Papa E. and Pilutti P.Ranking of phenols for oxidation in
aqueous environment: a QSPR approach. 14th Annual Meeting
SETAC-Europe (Prague, 18-23 April 2004)
Gramatica
and Papa E. QSAR Prediction of Organic Chemicals Environmental
Persistence. 14th Annual Meeting SETAC-Europe (Prague, 18-23 April
2004)
Gramatica
P.(2004)Validated QSAR prediction of VOC tropospheric degradation
by OH radical 11th International Workshop on QSAR in the Human
Health and Environmental Sciences (Liverpool, 9-13 May 2004).
Platform.
Gramatica
P., Papa E. and Villa F.(2004) Statistically validated QSARs and
theoretical descriptors for modelling aquatic toxicity of organic
chemicals in Pimephales promelas (Fathead Minnow).11th
International Workshop on QSAR in the Human Health and
Environmental Sciences (Liverpool, 9-13 May 2004)
Gramatica
P. and Papa E. Tools for structurally-based screening of organic
chemicals according to their general environmental
persistence.11th International Workshop on QSAR in the Human
Health and Environmental Sciences (Liverpool, 9-13 May 2004)
P.Pilutti,
E. Papa, D.Bonvissuto, L.Nizzetto, A. Di Guardo e P. Gramatica,
Stima della persistenza ambientale di idrocarburi policiclici
aromatici in aria e particolato studiata mediante spettrometria di
massa e modelli QSAR. 1° Convegno Nazionale sul prticolato
Atmosferico, Milano-Bicocca, 12-14 Maggio 2004
P.Gramatica,
F. Battaini, R. M. Cenci, E.Papa, D. Preatoni Distribuzione di
metalli pesanti in suoli e muschi di Piemonte e Sicilia : analisi
mediante metodi chemiometrici e GIS Convegno di Chimica
dell'Ambiente e dei Beni Culturali (Colle Val d'Elsa (SI), giugno
2004)
P.
Gramatica, P. Pilutti, E. Papa Approccio QSAR allo studio della
degradabilità ossidativa dei fenoli in acque superficiali
Convegno di Chimica dell'Ambiente e dei Beni Culturali (Colle Val
d'Elsa (SI), giugno 2004)
Paola
Gramatica Modellistica QSAR per "governare" complesse
problematiche ambientali di inquinanti organici (orale) Convegno
di Chimica dell'Ambiente e dei Beni Culturali (Colle Val d'Elsa
(SI), giugno 2004)
Papa E.
and Gramatica P. Structurally-based Tools for the Screening and
the Prediction of the Environmental Persistence of Organic
Chemicals. Oral Presentation. SETAC Student Conference, Department
of Soil Science, University of Reading (UK), 29 June
2004.Platform.
Gramatica
P. Different approaches to QSAR models' validation. eCheminfo 2004
Conference "Applications of Cheminformatics and Modelling to
Drug Discovery", 8-19 November 2004 Invited lecture
2003
Gramatica
P., Pilutti P. and Papa E Modelling and prediction of Atmospheric
Persistence Index of VOCs by theoretical molecular descriptors..,
13th Annual Meeting SETAC-Europe (Hamburg, 27 April-1 May 2003).
Platform
Gramatica
P.1, Consonni V.2, Pavan M.2, Pilutti P1., Papa E.1.Chemometric
methodologies for the modelling of heterogeneous chemical toxicity:
dataset representativity as the absolute essential. 13th Annual
Meeting SETAC-Europe (Hamburg, 27 April-1 May 2003)
Gramatica,
P., Battaini, F., Papa, E QSAR Prediction of Physico-Chemical
Properties of Esters.. 13th Annual Meeting SETAC-Europe (Hamburg,
27 April-1 May 2003)
Gramatica,
P., Battaini, F., Papa, QSAR Prediction of Aquatic Toxicity of
Esters. E.13th Annual Meeting SETAC-Europe (Hamburg, 27 April-1
May 2003)
Guardo A.,
Ferrari C., Pereira T., Cerejeira M. J., Gramatica P.(2003)
Development of an unsteady-state model and application to several
scenarios, 13th Annual meeting of SETAC-Europe, Hamburg, April 27-
May 1 2003.
Gramatica
P., Papa E., Pilutti, P. "Indice globale di persistenza
atmosferica: approccio predittivo QSAR". XXI Congresso
Nazionale della Società Chimica Italiana, Torino. 22-27 Giugno
2003 orale - Gramatica P., Papa E., Pilutti, P. "Modellamento
QSAR per la predizione di proprietà chimico-fisiche ed
ecotossicologiche di esteri" XXI Congresso Nazionale della
Società Chimica Italiana, Torino. 22-27 Giugno 2003 -
Bonvissuto
D., Papa E., Gramatica P., Di Guardo A.Stima della persistenza
ambientale di PAH studiata mediante spettrometria di massa e
metodi QSAR. XIII congresso SItE (Como), 8-10 Settembre 2003.
Nizzetto
L, Cerabolini B., Gramatica P., Di Lernia R., Di Guardo A.
Contaminanti Organici Persistenti (POPs) in sistemi forestali
lungo un gradiente altitudinale. XIII congresso SItE (Como), 8-10
Settembre 2003.
Pilutti,
P., Papa E., Gramatica P. "Indice generale di persistenza
atmosferica: approccio predittivo QSAR". XIII Congresso
Nazionale della Società Italiana di Ecologia, Como. 8-10
Settembre 2003
Battaini
F., Gramatica P:, Cenci R.M. "Distribuzione di metalli
pesanti in suoli e muschi di Piemonte e Sicilia: analisi mediante
metodi chemiometrici" XIII Congresso Nazionale della Società
Italiana di Ecologia, Como. 8-10 Settembre 2003
Papa E.
Castiglioni S. Gramatica P., Calamari D. " Indici di rischio
per la contaminazione acquatica da pesticidi nelle acque del fiume
Amu Darya (Uzbekistan)" XIII Congresso Nazionale della
Società Italiana di Ecologia, Como. 8-10 Settembre 2003. Platform.
Gramatica
P., Pilutti, P., Papa E. "Predictions of organic compound
tropospheric degradations and atmospheric degradation index by
QSAR approach". 12th International Symposium on Environmental
Pollution and its Impact on Life in the Mediteranean Region,
Antalya, Turchia. 4-8 October 2003 platform
Gramatica
P., Battaini F.., Papa E. QSAR prediction of Ester Aquatic
Toxicity 12th International Symposium on Environmental Pollution
and its Impact on Life in the Mediteranean Region, Antalya,
Turchia. . 4-8 October 2003
Gramatica
P., Battaini F.., Papa E. QSAR prediction of Physico-Chemical
Properties of Esters 12th International Symposium on Environmental
Pollution and its Impact on Life in the Mediteranean Region,
Antalya, Turchia. . 4-8 October 2003
Di Guardo
A., Nizzetto L, Cerabolini B., Gramatica P. (2003).
Polychlorinated biphenyls (PCBs) and DDTs in forests along an
altitudinal gradient. SETAC 24th Annual Meeting in North America,
9-13 November 2003 (Austin, Texas).
Di Guardo
A., Ferrari C., Gramatica P. (2003). Development of a coupled
soil-surface water unsteady state model. SETAC 24th Annual Meeting
in North America, 9-13 November 2003 (Austin, Texas).
2002
E.Bolzacchini,
V.Gianelle(1), P.Gramatica(2), V.Librando(3), M.G.Perrone,
L.Pozzoli, B.Rindone PM10 and PM2.5 in the Milan Urban Area Symp
2002, EUROTRAC-2, Garmisch (AUS). PM10 and PM2.5 in the Milan
urban area. Bolzacchini, E.; Gianelle, V.; Gramatica, P.;
Librando, V.; Perrone, M. G.; Pozzoli, L.; Rindone, B Editor(s):
Midgley, Pauline M.; Reuther, Markus.Transport and Chemical
Transformation in the Troposphere, Proceedings of EUROTRAC
Symposium, 7th, Garmisch-Partenkirchen, Germany, Mar. 11-15, 2002
(2002), 380-383. Publisher: Margraf Verlag, Weikersheim, Germany
P.
Gramatica and E. Papa Linear modelling and prediction of
BioConcentration Factor (BCF) by theoretical molecular descriptors.
12nd Meeting of SETAC, Vienna (Austria) 12-16 may 2002
P.
Gramatica, E. Papa, F. Battaini, P.Pilutti and L. Pozzoli QSAR
Studies on the Tropospheric Degradation of Organic Compounds. 12nd
Meeting of SETAC, Vienna (Austria) 12-16 may 2002
P.
Gramatica, L.Pozzoli, A. Santagostino, E. Bolzacchini, B. Rindone
Nitrophenols in Milan area: analysis, toxicology and QSAR
modelling. 12nd Meeting of SETAC, Vienna (Austria) 12-16 may 2002
P.
Gramatica, E. Papa, F. Battaini, P.Pilutti and L. Pozzoli QSAR
Predictions of Organic Compound Tropospheric Degradations.10th
International Workshop on Quantitative Structure Activity
Relationships in Environmental Sciences (QSAR 2002), Ottawa
(Canada), 25-29May 2002 platform
P.
Gramatica and E. Papa Linear modelling and prediction of
BioConcentration Factor (BCF) by theoretical molecular descriptors.
10th International Workshop on Quantitative Structure Activity
Relationships in Environmental Sciences (QSAR 2002), Ottawa
(Canada), 25-29May 2002
P.Gramatica,
E.Papa and S:Pozzi Modelling of Long Range Transport of POPs. 10th
International Workshop on Quantitative Structure Activity
Relationships in Environmental Sciences (QSAR 2002), Ottawa
(Canada), 25-29May 2002
P.
Gramatica, E. Papa and S. Pozzi, Modelling of Environmental
persistence and Long Range Transport of POPs by QSAR and
chemometric approaches. IEMSs2002 (Int. Environ. Modeling Soc)
Lugano (Switzerland), 24-27 june 2002. Proceedings.
P.
Gramatica, E.Papa, P. Pilutti, F. Battaini e L. Pozzoli Studi
sulla persistenza atmosferica di inquinanti organici: modellamento
QSAR e predizione di velocità di reazione con ossidanti
troposferici. VII Congresso Nazionale di Chimica Ambientale,
Venezia, 11-14 giugno 2002 Orale
P.
Gramatica, A. Di Guardo ed E.Papa Distribuzione ambientale di
pesticidi organici non-ionici: valutazione mediante descrittori
strutturali teorici. VII Congresso Nazionale di Chimica
Ambientale, Venezia, 11-14 giugno 2002
F.
Battaini, E.Papa, P.Gramatica Modellamento QSAR e predizione della
tossicità di fenoli VII Congresso Nazionale di Chimica
Ambientale, Venezia, 11-14 giugno 2002
E.Papa,
P.Gramatica Modellamento QSAR e predizione del Fattore di
Bioconcentrazione (BCF) di composti organici nei Pesci. VII
Congresso Nazionale di Chimica Ambientale, Venezia, 11-14 giugno
2002. Platform.
E.
Bolzacchini, V,Gianelle , L. Pozzoli, V. Librando, P.Gramatica S.
Citterio, G. Perrone e B. Rindone, Correlazioni lineari tra il
Particolato Atmosferico, Concentrazione di Ozono e altre variabili
ambientali VII Congresso Nazionale di Chimica Ambientale, Venezia,
11-14 giugno 2002 Orale
E.
Bolzacchini, V,Gianelle , P.Gramatica V. Librando, G. Perrone S.
Citterio, L. Pozzoli, e B. Rindone Valutazione del contributo del
traffico al articolato mediante fattori di diluizione da tunnel
VII Congresso Nazionale di Chimica Ambientale, Venezia, 11-14
giugno 2002 Orale
P.
Gramatica, E.Papa and A. Di Guardo, Ranking of Pesticides for
environmental Distribution : a QSAR approach 2nd European
Conference on Pesticides and Related Organic Micropollutants in
the Environment, Corfù (Grecia), 26-29 September 2002. Platform
Proceedings.
2001
P.Gramatica,
E.Papa and S.Pozzi Multicriteria decision-making and QSAR
approaches for the screening of long range transport potential of
organic pollutants 11th Annual Meeting of SETAC Europe, Madrid (Spain),
6-10 May 2001.
P.Gramatica,
E.Papa and M.Pavan Modelling and prediction of pollutant global
persistence by theoretical molecular descriptors. 11th Annual
Meeting of SETAC Europe, Madrid (Spain), 6-10 May 2001.
H.Walter,
R. Altenburger, M.Scholze, F. Consolaro and P.Gramatica Mixture
toxicity analysis of environmental chemicals (platform) 11th
Annual Meeting of SETAC Europe, Madrid (Spain), 6-10 May 2001.
T.Backaus,
R.Altenburger, A.Arrhenius, H.Blanck, F.Consolaro, M.Faust,
A.Finizio, P. Gramatica, M.Grothe, M.Junghans, W.Meyer, M.Pavan,
M.Scholze, R.Todeschini, M.Vighi, S.Villa, H. Walter and
L.H.Grimme Bridging the Gap between Science and Regulation of
Chemical Mixtures: the "BEAM" EU Research Project (oral
presentation). 11th Annual Meeting of SETAC Europe, Madrid (Spain),
6-10 May 2001.
P.
Gramatica, A. Santagostino e Ezio Bolzacchini Approccio
multidisciplinare allo studio dei nitrofenoli: analisi,
tossicologia e modellamento predittivo QSAR. VI° congresso
Nazionale di Chimica Ambientale - SCI, Rosignano Solvay (Li), 5-8
giugno 2001.
P.Gramatica,
E.Papa and S.Pozzi QSAR and chemometric approaches to the
screening of POPs for environmental persistence and Long Range
Transport. 11th Int. Symposium of MESAEP on Environ. Pollution and
its Impact on life in Mediterranean region - Limassol (Cipro),
6-10 october 2001.
P.
Gramatica, H. Walter and R. Altenburger Ranking of "EEC
Priority List 1" chemicals for structural similarity and
modelling of algal toxicity 11th Int. Symposium of MESAEP on
Environ. Pollution and its Impact on life in Mediterranean region
- Limassol (Cipro), 6-10 october 2001.
P.Gramatica,
P.Lorenzini, A.Santagostino and E.Bolzacchini Atmospheric
Monitoring, Toxicology and QSAR Modelling of Nitrophenols. 11th
Int. Symposium of MESAEP on Environ. Pollution and its Impact on
life in Mediterranean region - Limassol (Cipro), 6-10 october
2001.
T.
Backhaus, R. Altenburger, Å. Arrhenius, H. Blanck, M. Faust, A.
Finizio, P. Gramatica, M. Grothe, M. Junghans, W. Meyer, M. Pavan,
T. Porspring, M. Scholze, R. Todeschini, M. Vighi, S. Villa, H.
Walter, L. H. Gromme Prediction and Assessment of Mixture
Toxicities in the Aquatic Environment, platform presentation at
the 4th open scientific meeting of ELOISE, Rende, Italy, 2001
2000
P.Gramatica,
F.Consolaro and S.Pozzi POP environmental fate: modelling and
prediction of half-life ranges and octanol/air partition
coefficient (Koa) by molecular descriptors. 3rd SETAC World
Congress and 10th Annual Meeting of SETAC-Europe Brighton (UK),
21-25 May 2000.
F.Consolaro
and P.Gramatica Non ionic organic pesticide environmental
behaviour: ranking and classification. 3rd SETAC World Congress
and 10th Annual Meeting of SETAC-Europe Brighton (UK), 21-25 May
2000.
M.Pavan
and P. Gramatica Mutagenicity of aromatic amines: modelling,
prediction and classification by new molecular descriptors. 3rd
SETAC World Congress and 10th Annual Meeting of SETAC-Europe
Brighton (UK), 21-25 May 2000.
P.
Gramatica, E. Bonfanti and F.Consolaro QSAR modelling and
prediction of phenol toxicity 3rd SETAC World Congress and 10th
Annual Meeting of SETAC-Europe Brighton (UK), 21-25 May 2000.
Walter H,
Altenburger R, Scholze M, Consolaro F, Gramatica P, Grimme LH;
Schüürmann G Mixture toxicity assessment of environmental
chemicals. 3rd SETAC WorldCongress, 21-25 May 2000, Brighton, UK
T.Backaus,
R.Altenburger, A.Arrhenius, H.Blanck, F.Consolaro, M.Faust,
A.Finizio, P Gramatica, F. Gronvall, M.Scholze, M.Vighi, H. Walter
and L.H.Grimme Prediction and Assessment of Mixture Toxicities:
Summary and Conclusions of the "PREDICT" EU Research
Project. 3rd SETAC World Congress and 10th Annual Meeting of
SETAC-Europe Brighton (UK), 21-25 May 2000.
T.Backaus,
R.Altenburger, A.Arrhenius, H.Blanck, F.Consolaro, M.Faust,
A.Finizio, P Gramatica, F. Gronvall, M.Scholze, M.Vighi, H. Walter
and L.H.Grimme Bridging the Gap between Science and Regulation of
Chemical Mixtures: the "BEAM" EU Research Project. 3rd
SETAC World Congress and 10th Annual Meeting of SETAC-Europe
Brighton (UK), 21-25 May 2000.
L.H.Grimme,
R.Altenburger, A.Arrhenius, T.Backaus,, H.Blanck, F.Consolaro,
M.Faust, A.Finizio, P. Gramatica, M.Grothe, M.Junghans, M.Pavan,
M.Scholze, R.Todeschini, M.Vighi, S.Villa and H. Walter Risk
Assessment of Chemical Mixtures in the AquaticEnvironment: an
outline of the BEAM Project. EurOCEAN 2000 - The European
Conference on Marine Science and Ocean Technology, Hamburg (Germany),
29 August-2 September 2000. Proceedings: Book of Project Synopses,
Vol. 1: "Marine Processes, Ecosystems and Interactions",
pag-219-224, 2000.
F.Consolaro,
P. Gramatica and M.Pavan Physico-chemical properties modelling for
environmental pollutants. 9th International Workshop on
Quantitative Structure Activity Relationships in Environmental
Sciences - QSAR 2000, Bourgas (Bulgaria), 16-20 September 2000.
P.
Gramatica, M.Pavan, F.Consolaro, V.Consonni and R.Todeschini QSAR
modelling of the biodegradability by holistic molecular
descriptors. 9th International Workshop on Quantitative Structure
Activity Relationships in Environmental Sciences - QSAR 2000,
Bourgas (Bulgaria), 16-20 September 2000.
P.
Gramatica, F.Consolaro and M.Pavan Organic pollutants
environmental fate: modelling and prediction of global persistence
by molecular descriptors. 9th International Workshop on
Quantitative Structure Activity Relationships in Environmental
Sciences - QSAR 2000, Bourgas (Bulgaria), 16-20 September 2000.
F.Consolaro,
P. Gramatica, H. Walter and R. Altenburger Ranking of "EEC
Priority List 1" for structural similarity and modelling of
algal toxicity. 9th International Workshop on Quantitative
Structure Activity Relationships in Environmental Sciences - QSAR
2000, Bourgas (Bulgaria), 16-20 September 2000.
M.Pavan,
P. Gramatica, F.Consolaro, V.Consonni and R.Todeschini QSAR
modelling of the aromatic amines mutagenicity by genetic
algorithm-variable subset selection. 9th International Workshop on
Quantitative Structure Activity Relationships in Environmental
Sciences - QSAR 2000, Bourgas (Bulgaria), 16-20 September 2000.
1999
R.Todeschini,
P.Gramatica and V.Consonni Chemometric Modelling of Tropospheric
Degradation. III° German-Italian Workshop on Tropospheric
Chemistry, Bergamo, 30-31 ottobre 1998. Proceedings.
M.Vighi
and P.Gramatica The use of QSAR and chemometric approaches for the
study of mixture toxicity. 9th Annual Meeting of SETAC-Europe,
Leipzig (Germany), 25-29 May 1999.
F.Consolaro,
P.Gramatica and S.Pozzi Modelling of physico-chemical properties
for organic pollutants. 9th Annual Meeting of SETAC-Europe,
Leipzig (Germany), 25-29 May 1999.
P.Gramatica,
M. Corradi and V.Consonni Partition properties and soil mobility
of non ionic organic pesticides. 9th Annual Meeting of
SETAC-Europe, Leipzig (Germany), 25-29 May 1999.
P.Gramatica
and S. Pozzi QSAR Modelling of atmospheric mobility for Persistent
Organic Pollutants. 9th Annual Meeting of SETAC-Europe, Leipzig (Germany),
25-29 May 1999.
P.Gramatica,
F. Consolaro. M.Vighi, A.Finizio and M.Faust QSAR models for algal
toxicity for congeneric and non-congeneric chemicals. 9th Annual
Meeting of SETAC-Europe, Leipzig (Germany), 25-29 May 1999.
F.
Consolaro and P.Gramatica Toxicity modelling of "EEC Priority
List 1" compounds. 9th Annual Meeting of SETAC-Europe,
Leipzig (Germany), 25-29 May 1999
P.Gramatica
and F. Consolaro Ranking of "EEC priority List 1"
compounds by structural similarity. 9th Annual Meeting of
SETAC-Europe, Leipzig (Germany), 25-29 May 1999
M.Vighi,
P.Gramatica, F.Consolaro and R.Todeschini QSAR and chemometric
approaches for the assessment of water quality objectives. 9th
Annual Meeting of SETAC-Europe, Leipzig (Germany), 25-29 May 1999
A.Arrhenius,
T.Backaus, H.Blanck, F.Gronvall, M.Scholze, P.Gramatica, M.Vighi
and L.H.Grimme Mixture toxicity of photosynthetic inhibitors to
marine periphyton and episammon communities. 9th Annual Meeting of
SETAC-Europe, Leipzig (Germany), 25-29 May 1999
P.Gramatica,
S.Pozzi, F.Consolaro and R. Todeschini Study of the POP
atmospheric mobility by QSAR approach. 19th International
Symposium on Halogenated Environmental Organi Pollutants and POPs,
Venezia (Italia), 12-17 September 1999 proceedings.
1998
B.
Barletta, R.Belloli, E.Bolzacchini, S.Meinardi, P.Galvani,
P.Gramatica, M.Orlandi, B.Rindone and A.Santagostino Toxic
Nitrophenols from the Liquid Phase Nitration of Phenols. Symp 98,
EUROTRAC-2, Garmisch-Partenkirchen, Germany, (AUS),23-27 March
1998. Proceedings: Transport and Chemical Transformation in the
Troposphere, Ed.: Borrell, P.M.; Borrell, P.WIT Press,
(Southampton, UK)
P.Gramatica,
V.Consonni and R.Todeschini QSAR Study on the Tropospheric
Degradation of Organic Compounds. IUPAC International Conference
on Degradation Processes in the Environment, Dubrovnik (Croatia),
24-28 May 1998 proceedings.
P.Gramatica,
V.Consonni and R.Todeschini QSAR Modelling of the Biodegradation
by Holistic Molecular Descriptors. IUPAC International Conference
on Degradation Processes in the Environment, Dubrovnik (Croatia),
24-28 May 1998
R.Todeschini,
V.Consonni, D.Galvagni and P.Gramatica A New Molecular Structure
Representation: Spectral Wheighted Molecular (SWM) Signals and
"SWIM" Descriptors. IV Colloquium Chimiometricum
Mediterraneum, Burgos (Spain), 8-11 Junio 1998 proceedings.
P.Gramatica,
F.Consolaro, M.Vighi, R.Todeschini, A.Finizio and M.Faust QSAR
approach for the selection of congeneric compounds with similar
toxicological mode of action. 12th European Symposium on
Quantitative Structure-Activity Relationships: Molecular Modelling
and Prediction of Bioactivity, Copenhagen (Denmark), 23-28 August
1998.
R.Todeschini,
V.Consonni, D.Galvagni and P.Gramatica A New Molecular Structure
Representation: Spectral Weighted Molecular (SWM) Signals and
"SWIM" Descriptors 12th European Symposium on
Quantitative Structure-Activity Relationships: Molecular Modelling
and Prediction of Bioactivity, Copenhagen (Denmark), 23-28 August
1998 Proceedings in "Molecular modelling and prediction of
bioactivity" K.Gundertofte and F.S. Jorgensen Ed., Kluwer,
(2000), 344.
V.Consonni,
P.Gramatica and R.Todeschini Ranking of the tropospheric
Degradability of Organic Pollutants by QSAR Modeling. 6th FECS
Conference on Chemistry and the Environment: Atmospheric Chemistry
and Air Pollution, Copenaghen (Denmark), 26-28 August 1998
proceedings.
V.Consonni,
P.Gramatica, A.Santagostino, P.Galvani and E.Bolzacchini Studies
on Atmospheric Pollutants: Effect on Soy Seeds Germination of
Nitro-Phenols and Nitro-Cresols and its Modeling by Molecular
Descriptors. 6th FECS Conference on Chemistry and the Environment:
Atmospheric Chemistry and Air Pollution, Copenaghen (Denmark),
26-28 August 1998. Proceedings: P.Gramatica, V.Consonni,
A.Santagostino, P.Galvani, E.Bolzacchini, Studies on atmospheric
pollutants: effect on soy seeds germination of nitro-phenols and
nitro-cresols and its modeling by molecular descriptors. Chemical
mechanisms of atmospheric processes. Ed. K.H. Becker, G.Angeletti,
Brussels, (1999)
P.Gramatica,
N.Navas and R.Todeschini Modellamento di proprietà
chimico-fisiche (QSPR) e classificazione di solventi mediante
metodi chemiometrici e descrittori molecolari. XXIX Congresso
Nazionale di Chimica Fisica, Taormina, 5-9 ottobre 1998
1994-1997
R.
Todeschini e P.Gramatica escrittori molecolari WHIM: aspetti
teorici e applicazione allo studio di proprietà chimico-fisiche
degli idrocarburi aromatici policondensati XVII Congresso
Nazionale di Chimica Fisica della SCI, Montepaone Lido(Cz), 18-22
sett 1994
R.
Todeschini e P.Gramatica tilizzo dei descrittori WHIM per lo
studio delle relazioni attività-struttura di composti ad elevato
impatto ambientale: applicazioni a clorobenzeni e clorofenoli.
Incontro Scientifico costitutivo dell Divisione di Chimica
Ambientale della Società Chimica Italiana, Roma, 10-12 ottobre
1994.
R.
Todeschini, P.Gramatica and A.Maiocchi D-molecular descriptors:
the WHIM approach to the similarity analysis. 11th European
Symposium on Quantitative Structure-Activity Relationships:
Computer Assisted Lead Finding and Optimization, Lausanne (CH),
1-6 Sept. 1996.
A.Di
Guardo, D. Calamari, P.Gramatica and R. Todeschini Multimedia
Modelling of air-sea exchange MAST/NILU Workshop on Air sea
exchange process and modelling European Union, Oslo (Norway), 1997
proceedings.
M.Vighi,
P.Gramatica, A.Finizio and R.Todeschini The use of QSAR in the
definition of water quality objectives for mixtures of chemicals.
VII Annual Meeting of SETAC-Europe, Amsterdam (HOL), April 1997.
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