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Molecular Similarity Perception Based on Machine-Learning Models

Molecular similarity is an impressively broad topic with many implications in several areas of chemistry. Its roots lie in the paradigm that ‘similar molecules have similar properties’. For this reason, methods for determining molecular similarity find wide application in pharmaceutical companies, e...

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Detalles Bibliográficos
Autores principales:	Gandini, Enrico, Marcou, Gilles, Bonachera, Fanny, Varnek, Alexandre, Pieraccini, Stefano, Sironi, Maurizio
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9181189/ https://www.ncbi.nlm.nih.gov/pubmed/35682792 http://dx.doi.org/10.3390/ijms23116114

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