Predicting compound activity from phenotypic profiles and chemical structures
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.
| Main Authors: | , , , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Nature Portfolio
2023-04-01
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| Series: | Nature Communications |
| Online Access: | https://doi.org/10.1038/s41467-023-37570-1 |
| _version_ | 1797849996765167616 |
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| author | Nikita Moshkov Tim Becker Kevin Yang Peter Horvath Vlado Dancik Bridget K. Wagner Paul A. Clemons Shantanu Singh Anne E. Carpenter Juan C. Caicedo |
| author_facet | Nikita Moshkov Tim Becker Kevin Yang Peter Horvath Vlado Dancik Bridget K. Wagner Paul A. Clemons Shantanu Singh Anne E. Carpenter Juan C. Caicedo |
| author_sort | Nikita Moshkov |
| collection | DOAJ |
| description | 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. |
| first_indexed | 2024-04-09T18:53:13Z |
| format | Article |
| id | doaj.art-d1696a696570421b97ee48344f88bf2e |
| institution | Directory Open Access Journal |
| issn | 2041-1723 |
| language | English |
| last_indexed | 2024-04-09T18:53:13Z |
| publishDate | 2023-04-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | Nature Communications |
| spelling | doaj.art-d1696a696570421b97ee48344f88bf2e2023-04-09T11:21:39ZengNature PortfolioNature Communications2041-17232023-04-0114111110.1038/s41467-023-37570-1Predicting compound activity from phenotypic profiles and chemical structuresNikita Moshkov0Tim Becker1Kevin Yang2Peter Horvath3Vlado Dancik4Bridget K. Wagner5Paul A. Clemons6Shantanu Singh7Anne E. Carpenter8Juan C. Caicedo9Broad Institute of MIT and HarvardBroad Institute of MIT and HarvardUniversity of CaliforniaBiological Research CentreBroad Institute of MIT and HarvardBroad Institute of MIT and HarvardBroad Institute of MIT and HarvardBroad Institute of MIT and HarvardBroad Institute of MIT and HarvardBroad Institute of MIT and HarvardExperimental 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.https://doi.org/10.1038/s41467-023-37570-1 |
| spellingShingle | Nikita Moshkov Tim Becker Kevin Yang Peter Horvath Vlado Dancik Bridget K. Wagner Paul A. Clemons Shantanu Singh Anne E. Carpenter Juan C. Caicedo Predicting compound activity from phenotypic profiles and chemical structures Nature Communications |
| title | Predicting compound activity from phenotypic profiles and chemical structures |
| title_full | Predicting compound activity from phenotypic profiles and chemical structures |
| title_fullStr | Predicting compound activity from phenotypic profiles and chemical structures |
| title_full_unstemmed | Predicting compound activity from phenotypic profiles and chemical structures |
| title_short | Predicting compound activity from phenotypic profiles and chemical structures |
| title_sort | predicting compound activity from phenotypic profiles and chemical structures |
| url | https://doi.org/10.1038/s41467-023-37570-1 |
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