toxTree.io (Toxtree 3.1.0 API)

Class Summary
Class Description

MolFileFilter

PDFWriter
Exporting set of structures as PDF file.

Tools

Class Summary
Class	Description
MolFileFilter
PDFWriter	Exporting set of structures as PDF file.
Tools

Package toxTree.io Description

Input output support. This is mainly an extension of The CDK io package in order to support .CSV and .TXT files.

CSV files and tab delimited .TXT files can be read/written by MS Excel :)

A column with "SMILES" heading is mandatory for CSV/TXT files in order the structure to be read. All other fields are optional, will be read as molecule properties and displayed as such.

Decision tree results are written as SDF properties or CSV/TXT columns. The class assignment is stored in a property "toxTree.tree.cramer.CramerRules". The tree path is stored in a property "toxTree.tree.cramer.CramerTreeResult".