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TableĀ 2 The molecular descriptors that were used in modeling process

From: ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

Descriptor type Description Number
Constitution Constitutional descriptors 30
Topology Topological descriptors 35
Connectivity Connectivity indices 44
E-state E-state descriptors 79
Kappa Kappa shape descriptors 7
Basak Basak information indices 21
Burden Burden descriptors 64
Autocorrelation Morgan autocorrelation 32
Charge Charge descriptors 25
Property Molecular property 6
FP2 A path-based fingerprint which indexes small molecule fragments based on linear segments of up to 7 atoms 2048
MACCS MACCS keys 167
ECFP2 An ECFP feature represents a circular substructure around a center atom with diameter is 1 2048
ECFP4 An ECFP feature represents a circular substructure around a center atom with diameter is 2 2048
ECFP6 An ECFP feature represents a circular substructure around a center atom with diameter is 3 2048