Package toxtree.plugins.ames.descriptors

Class Summary

Class	Description
AromaticAmineSubstituentsDescriptor	returns "MR","LSTM","B1STM","B5STM" for substituents at postitions 1 to 6 (amine group at 1 position).
DescriptorBridgedBiphenyl
DescriptorHasNO2Group
DescriptorIDist	The indicator variable Idist is a structural parameter coding for the presence (Idist = 1, otherwise Idist = 0) of crowded substituents on the positions 3'-, 4'- and 5'- of 4-aminobiphenyl.
DescriptorIsAniline	Returns true if aniline, false otherwise.
DescriptorMolarRefractivity	This is now a wrapper of Joelib MolarRefractivity, but needs to be rewritten without joelib.
DescriptorStructurePresence<T>
SubstituentExtractor
SubstituentPosition
SubstituentsDescriptor