Research

Research + Discoveries

New Approach Creates Property-Biased Molecular Libraries in silico

A paper by Chetan Rupakheti and Aaron Virship, in collaboration with Professors Yang and Beratan, reports a new approach to develop property-biased molecular libraries that capture the diversity of vast "molecular space."  The paper was selected as an Editors' Choice in the /Journal of Chemical Information and Modeling/ and is available as a "just accepted" manuscript at: http://pubs.acs.org/doi/abs/10.1021/ci500749q.