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ChemSpaceAL: An Efficient Active Learning Methodology Applied to Protein-Specific Molecular Generation

The incredible capabilities of generative artificial intelligence models have inevitably led to their application in the domain of drug discovery. It is therefore of tremendous interest to develop methodologies that enhance the abilities and applicability of these powerful tools. In this work, we pr...

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Detalles Bibliográficos
Autores principales: Kyro, Gregory W., Morgunov, Anton, Brent, Rafael I., Batista, Victor S.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cornell University 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10516108/
https://www.ncbi.nlm.nih.gov/pubmed/37744464