Improving Hit-finding: Multilabel Neural Architecture with DEL

no code implementations • NeurIPS Workshop AI4Scien 2021 • Kehang Han, Steven Kearnes, Jin Xu, Wen Torng, JW Feng

DNA-Encoded Libraries (DEL thereafter) data, often with millions of data points, enables large deep learning models to make real contributions in the drug discovery process (e. g., hit-finding).

Drug Discovery