Package mutant.descriptors

Class Summary
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  
 



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