Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiT. - Xinhao Li 001; Denis Fourches (J. Cheminformatics, 2020)

MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization. - Tianfan Fu; Cao Xiao; Xinhao Li 001; Lucas M. Glass; Jimeng Sun 001 (AAAI, 2021)

SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning. - Xinhao Li 001; Denis Fourches (J. Chem. Inf. Model., 2021)