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Table 1 Description of QSAR/QSPR datasets

From: Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT

Data SetDescriptionSize# of active compoundTask
LipophilicityOctanol/water distribution coefficient4200 Regression
FreeSolvExperimental measured solvation energy (kcal/mol)642 Regression
HIVInhibition of HIV replication41,1271443Classification
BBBPAbility to penetrate the blood–brain barrier20391560Classification