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A Bayesian Target Predictor Method based on Molecular Pairing Energies estimation
Virtual screening (VS) is applied in the early drug discovery phases for the quick inspection of huge molecular databases to identify those compounds that most likely bind to a given drug target. In this context, there is the necessity of the use of compact molecular models for database screening an...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Nature Publishing Group
2017
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5338323/ https://www.ncbi.nlm.nih.gov/pubmed/28263323 http://dx.doi.org/10.1038/srep43738 |