Connecting chemistry and biology through molecular descriptors.
Fernández-Torras A, Comajuncosa-Creus A, Duran-Frigola M, Aloy P.
Fernández-Torras A, et al.
Curr Opin Chem Biol. 2022 Feb;66:102090. doi: 10.1016/j.cbpa.2021.09.001. Epub 2021 Oct 6.
Curr Opin Chem Biol. 2022.
PMID: 34626922
Review.
After this wealth of data, a new generation of data-driven descriptors has arisen providing a rich portrait of small molecule characteristics that goes beyond chemical properties. Here, we give an overview of biologically relevant descriptors, covering chemical compounds, …
After this wealth of data, a new generation of data-driven descriptors has arisen providing a rich portrait of small molecule characteristic …