Applications of Artificial Intelligence in Drug Design: Opportunities and Challenges.

Thomas, Morgan; Boardman, Andrew; Garcia-Ortegon, Miguel; Yang, Hongbin; de Graaf, Chris; Bender, Andreas

Thomas, Morgan; Boardman, Andrew; Garcia-Ortegon, Miguel; Yang, Hongbin; de Graaf, Chris; Bender, Andreas.

Afiliación

Thomas M; Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK.
Boardman A; Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK.
Garcia-Ortegon M; Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK.
Yang H; Department of Pure Mathematics and Mathematical Statistics, University of Cambridge, Cambridge, UK.
de Graaf C; Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK.
Bender A; Computational Chemistry, Sosei Heptares, Cambridge, UK.

Methods Mol Biol ; 2390: 1-59, 2022.

Article en En | MEDLINE | ID: mdl-34731463

Asunto(s)

Inteligencia Artificial; Diseño de Fármacos

Palabras clave

AI; Artificial intelligence; CASP; Computer-aided synthesis planning; De novo molecule generation; Drug design; Generative models; ML; Machine learning; Model interpretability; Prediction uncertainty; Virtual screening

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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Asunto principal: Inteligencia Artificial / Diseño de Fármacos Tipo de estudio: Prognostic_studies Idioma: En Revista: Methods Mol Biol Asunto de la revista: BIOLOGIA MOLECULAR Año: 2022 Tipo del documento: Article País de afiliación: Reino Unido Pais de publicación: Estados Unidos

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