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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...

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Detalles Bibliográficos
Autores principales: Reker, D., Schneider, P., Schneider, G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2016
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