MetaSpot: A General Approach for Recognizing the Reactive Atoms Undergoing Metabolic Reactions Based on the MetaQSAR Database

The prediction of drug metabolism is attracting great interest for the possibility of discarding molecules with unfavorable ADME/Tox profile at the early stage of the drug discovery process. In this context, artificial intelligence methods can generate highly performing predictive models if they are...

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Detalles Bibliográficos
Autores principales: Mazzolari, Angelica, Perazzoni, Pietro, Sabato, Emanuela, Lunghini, Filippo, Beccari, Andrea R., Vistoli, Giulio, Pedretti, Alessandro
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10341931/
https://www.ncbi.nlm.nih.gov/pubmed/37446241
http://dx.doi.org/10.3390/ijms241311064

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10341931/
https://www.ncbi.nlm.nih.gov/pubmed/37446241
http://dx.doi.org/10.3390/ijms241311064

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