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Multi-objective active machine learning rapidly improves structure–activity models and reveals new protein–protein interaction inhibitors
Active machine learning puts artificial intelligence in charge of a sequential, feedback-driven discovery process. We present the application of a multi-objective active learning scheme for identifying small molecules that inhibit the protein–protein interaction between the anti-cancer target CXC ch...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Royal Society of Chemistry
2016
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6013791/ https://www.ncbi.nlm.nih.gov/pubmed/30155037 http://dx.doi.org/10.1039/c5sc04272k |