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Updated: Dec 13, 2025

Curation of Computational Chemical Libraries Demonstrated with Alpha-Amino Acids
Published on: April 13, 2022
Systematic Chemogenetic Library Assembly
Stephen M Canham1, Yuan Wang1, Allen Cornett1
1Novartis Institute for BioMedical Research, 181 Massachusetts Avenue, Cambridge, MA 02139, USA.
Abstract:
Chemogenetic libraries, collections of well-defined chemical probes, provide tremendous value to biomedical research but require substantial effort to ensure diversity as well as quality of the contents. We have assembled a chemogenetic library by data mining and crowdsourcing institutional expertise. We are sharing our approach, lessons learned, and disclosing our current collection of 4,185 compounds with their primary annotated gene targets (https://github.com/Novartis/MoaBox). This physical collection is regularly updated and used broadly both within Novartis and in collaboration with external partners.

