How Sure Can We Be about ML Methods-Based Evaluation of Compound Activity: Incorporation of Information about Prediction Uncertainty Using Deep Learning Techniques

A great variety of computational approaches support drug design processes, helping in selection of new potentially active compounds, and optimization of their physicochemical and ADMET properties. Machine learning is a group of methods that are able to evaluate in relatively short time enormous amou...

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Detalles Bibliográficos
Autores principales: Sieradzki, Igor, Leśniak, Damian, Podlewska, Sabina
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7144469/
https://www.ncbi.nlm.nih.gov/pubmed/32210186
http://dx.doi.org/10.3390/molecules25061452

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7144469/
https://www.ncbi.nlm.nih.gov/pubmed/32210186
http://dx.doi.org/10.3390/molecules25061452

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