11 citations · 11 across the 2 of their papers we have counts for
2 papers
q-bio.QM2023
Mining Patents with Large Language Models Elucidates the Chemical Function Landscape
Clayton W. Kosonocky, Claus O. Wilke, Edward M. Marcotte +1
The fundamental goal of small molecule discovery is to generate chemicals with target functionality. While this often proceeds through structure-based methods, we set out to invest…
physics.chem-ph2023★ 11 cited
Prompt Engineering for Transformer-based Chemical Similarity Search Identifies Structurally Distinct Functional Analogues
Clayton W. Kosonocky, Aaron L. Feller, Claus O. Wilke +1
Chemical similarity searches are widely used in-silico methods for identifying new drug-like molecules. These methods have historically relied on structure-based comparisons to com…