28 citations · 53 across the 3 of their papers we have counts for
4 papers
Reinforced Genetic Algorithm for Structure-based Drug Design
Tianfan Fu, Wenhao Gao, Connor W. Coley +1
Structure-based drug design (SBDD) aims to discover drug candidates by finding molecules (ligands) that bind tightly to a disease-related protein (targets), which is the primary ap…
Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
Kexin Huang, Tianfan Fu, Wenhao Gao +7
Therapeutics machine learning is an emerging field with incredible opportunities for innovatiaon and impact. However, advancement in this field requires formulation of meaningful l…
Deep Learning in Protein Structural Modeling and Design
Wenhao Gao, Sai Pooja Mahajan, Jeremias Sulam +1
Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structura…
The Synthesizability of Molecules Proposed by Generative Models
Wenhao Gao, Connor W. Coley
The discovery of functional molecules is an expensive and time-consuming process, exemplified by the rising costs of small molecule therapeutic discovery. One class of techniques o…