Molecular machine learning (ML) underpins critical workflows in drug discovery, material science, and catalyst optimization ...

Previous methods focus on extracting chronological features from diffusion paths and leverage relations in social graph as side information to facilitate diffusion prediction. However, abundant ...

† Key Laboratory of High Performance Polymer Materials and Technology (Nanjing University), Ministry of Eduction., Department of Polymer Science and Engineering, School of Chemistry and Chemical ...

Pfizer, Pharmacokinetics, Dynamics and Metabolism, Ann Arbor, Michigan 48015, Wyeth Pharmaceuticals, 500 Arcola Road, Collegeville, Pennsylvania 19426, Pfizer ...