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Class Summary | |
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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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