An industrial evaluation of proteochemometric modelling: Predicting drug-target affinities for kinases
Deep learning proteochemometric (PCM) models have been reported to achieve excellent performances on public benchmarking datasets. Nevertheless, numerous papers have cast doubt on commonly used evaluation metrics, suggesting they do not reflect true prospective predictive abilities. The aim of this...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2023-12-01
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| Series: | Artificial Intelligence in the Life Sciences |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667318523000235 |