W. Patrick Walters

机构：Relay Therapeutics (United States), OpenAI (United States), Open Molecular Software Foundation · ORCID：0000-0003-2860-7958

发表论文 187 篇 · 总被引 9207 次 · h-index 36

代表论文

Practically Significant Method Comparison Protocols for Machine Learning in Small Molecule Drug Discovery (2025 · Journal of Chemical Information and Modeling · 被引 59)
CACHE Challenge #2: Targeting the RNA Site of the SARS-CoV-2 Helicase Nsp13 (2025 · Journal of Chemical Information and Modeling · 被引 15)
A Computational Community Blind Challenge on Pan-Coronavirus Drug Discovery Data (2026 · Journal of Chemical Information and Modeling · 被引 10)
Enhanced Thompson sampling by roulette wheel selection for screening ultralarge combinatorial libraries (2025 · Journal of Cheminformatics · 被引 5)
Mapping the avoid-ome: a systematic open-science approach to predictive ADMET (2026 · Nature Communications · 被引 4)
Identifying and Addressing Systematic Data Leakage in Protein-Ligand Affinity Benchmarks (2026 · bioRxiv (Cold Spring Harbor Laboratory) · 被引 3)