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Unsupervised Representation Learning for Proteochemometric Modeling

In silico protein–ligand binding prediction is an ongoing area of research in computational chemistry and machine learning based drug discovery, as an accurate predictive model could greatly reduce the time and resources necessary for the detection and prioritization of possible drug candidates. Pro...

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Detalles Bibliográficos
Autores principales: Kim, Paul T., Winter, Robin, Clevert, Djork-Arné
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8657702/
https://www.ncbi.nlm.nih.gov/pubmed/34884688
http://dx.doi.org/10.3390/ijms222312882