ADMET 性质 | 变量名 | |||||||||
Caco-2 | WPATH | maxaaO | WTPT-3 | MDEC-23 | MLFER_E | TopoPSA | minwHBa | nBondsS2 | MLFER_S | BCUTc-1l |
CYP3A4 | SP-4 | ETA_dEpsilon_D | minHBa | ATSc2 | minssCH2 | SCH-6 | VC-4 | ETA _BetaP_s | ATSc5 | ETA _Shape_Y |
hERG | VP-0 | MDEO-11_D | maxHsOH | SHBint8 | minaasC | maxaaCH | minsssN | hmin | minssCH2 | C1SP3 |
HOB | BCUTc-1l | maxHBint6 | ETA_BetaP_s | maxHsOH | minHCsatu | MDEC-33 | hmax | ETA_ dEpsilon_B | maxsCH3 | MDEN-33 |
MN | WTPT-5 | ETA_BetaP_s | WTPT-3 | mindssC | SsssCH | ETA_EtaP _B_RC | ETA_EtaP _B_RC | SssCH2 | FMF | MAXDN2 |