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Interpretation of machine learning models using shapley values: application to compound potency and multi-target activity predictions
Difficulties in interpreting machine learning (ML) models and their predictions limit the practical applicability of and confidence in ML in pharmaceutical research. There is a need for agnostic approaches aiding in the interpretation of ML models regardless of their complexity that is also applicab...
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| Publicat a: | J Comput Aided Mol Des |
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| Autors principals: | , |
| Format: | Artigo |
| Idioma: | Inglês |
| Publicat: |
Springer International Publishing
2020
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| Matèries: | |
| Accés en línia: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7449951/ https://ncbi.nlm.nih.gov/pubmed/32361862 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-020-00314-0 |
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