Machine intelligence-driven framework for optimized hit selection in virtual screening
Abstract Virtual screening (VS) aids in prioritizing unknown bio-interactions between compounds and protein targets for empirical drug discovery. In standard VS exercise, roughly 10% of top-ranked molecules exhibit activity when examined in biochemical assays, which accounts for many false positive...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
BMC
2022-07-01
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| Series: | Journal of Cheminformatics |
| Subjects: | |
| Online Access: | https://doi.org/10.1186/s13321-022-00630-7 |