Abbreviations.

Abbreviations	Explanations
GRU	Gated recurrent unit
SMILES	Simplified molecular-input line-entry system
QSAR	Quantitative structure–activity relationship
AI	Artificial intelligence
TL	Transfer learning
RNN	Recurrent neural network
MTT	3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide
SAS	Synthetic accessibility score
QEDw	Weighted quantitative estimation of drug-likeness
log P	Oil–water partition coefficient
TLC	Thin-layer chromatography
TMS	Tetramethylsilane