Predicting compound activity from phenotypic profiles and chemical structures
oleh: Nikita Moshkov, Tim Becker, Kevin Yang, Peter Horvath, Vlado Dancik, Bridget K. Wagner, Paul A. Clemons, Shantanu Singh, Anne E. Carpenter, Juan C. Caicedo
| Format: | Article |
|---|---|
| Diterbitkan: | Nature Portfolio 2023-04-01 |
Deskripsi
Experimental assays are used to determine if compounds cause a desired activity in cells. Here the authors demonstrate that computational methods can predict compound bioactivity given their chemical structure, imaging and gene expression data from historic screening libraries.