cheML.io: an online database of ML-generated molecules

Several recent ML algorithms for de novo molecule generation have been utilized to create an open-access database of virtual molecules. The algorithms were trained on samples from ZINC, a free database of commercially available compounds. Generated molecules, stemming from 10 different ML frameworks...

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Detalles Bibliográficos
Autores principales: Zhumagambetov, Rustam, Kazbek, Daniyar, Shakipov, Mansur, Maksut, Daulet, Peshkov, Vsevolod A., Fazli, Siamac
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9058596/
https://www.ncbi.nlm.nih.gov/pubmed/35516285
http://dx.doi.org/10.1039/d0ra07820d

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9058596/
https://www.ncbi.nlm.nih.gov/pubmed/35516285
http://dx.doi.org/10.1039/d0ra07820d

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