Characterization of the Chemical Space of Known and Readily Obtainable Natural Products

8 August 2018

Natural products are the single most important resource for drug leads. In a recent study published in the Journal of Chemical Information and Modeling, Ya Chen, Marina Garcia de Lomana, Nils-Ole Friedrich and Johannes Kirchmair characterize the chemical space of purchasable natural products and compare it to the drug-like chemical space. The insights gained in this work will be helpful in the selection of data sources for computer-guided drug discovery.

The article is available here: http://dx.doi.org/10.1021/acs.jcim.8b00302