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Magicmol: a light-weighted pipeline for drug-like molecule evolution and quick chemical space exploration

The flourishment of machine learning and deep learning methods has boosted the development of cheminformatics, especially regarding the application of drug discovery and new material exploration. Lower time and space expenses make it possible for scientists to search the enormous chemical space. Rec...

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Detalles Bibliográficos
Autores principales: Chen, Lin, Shen, Qing, Lou, Jungang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10132416/
https://www.ncbi.nlm.nih.gov/pubmed/37101113
http://dx.doi.org/10.1186/s12859-023-05286-0