(irdkit.ML.Descriptors.MoleculeDescriptors
MolecularDescriptorCalculator
p1
(dp2
S'simpleList'
p3
(lp4
S'BalabanJ'
p5
aS'BertzCT'
p6
aS'GordonScantleburyB2'
p7
aS'HallKierAlpha'
p8
aS'Kappa3'
p9
aS'SuperPendenticIndex'
p10
aS'PEOE_VSA8'
p11
aS'PEOE_VSA9'
p12
aS'SMR_VSA7'
p13
aS'SlogP_VSA1'
p14
aS'SlogP_VSA3'
p15
aS'SlogP_VSA6'
p16
aS'TPSA'
p17
aS'NumHAcceptors'
p18
aS'NumHDonors'
p19
aS'MolLogP'
p20
asS'descriptorNames'
p21
(lp22
g5
ag6
ag7
ag8
ag9
ag10
ag11
ag12
ag13
ag14
ag15
ag16
ag17
ag18
ag19
ag20
asS'compoundList'
p23
Nsb.