Multiobjective de novo drug design with recurrent neural networks and nondominated sorting. - Jacob Yasonik (J. Cheminformatics, 2020)

Differentiable Scaffolding Tree for Molecular Optimization. - Tianfan Fu; Wenhao Gao 001; Cao Xiao; Jacob Yasonik; Connor W. Coley; Jimeng Sun 001 (CoRR, 2021)

Differentiable Scaffolding Tree for Molecule Optimization. - Tianfan Fu; Wenhao Gao 001; Cao Xiao; Jacob Yasonik; Connor W. Coley; Jimeng Sun 001 (ICLR, 2022)