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A D3R Prospective Evaluation of Machine Learning for Protein-Ligand Scoring
We assess the performance of several machine learning-based scoring methods at protein-ligand pose prediction, virtual screening, and binding affinity prediction. The methods and the manner in which they were trained make them sufficiently diverse to evaluate the utility of various strategies for tr...
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| Publicado no: | J Comput Aided Mol Des |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2016
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5079830/ https://ncbi.nlm.nih.gov/pubmed/27592011 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s10822-016-9960-x |
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