Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical Reactions

Nowadays, the problem of the model’s applicability domain (AD) definition is an active research topic in chemoinformatics. Although many various AD definitions for the models predicting properties of molecules (Quantitative Structure-Activity/Property Relationship (QSAR/QSPR) models) were described...

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Detalles Bibliográficos
Autores principales: Rakhimbekova, Assima, Madzhidov, Timur I., Nugmanov, Ramil I., Gimadiev, Timur R., Baskin, Igor I., Varnek, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7432167/
https://www.ncbi.nlm.nih.gov/pubmed/32756326
http://dx.doi.org/10.3390/ijms21155542

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7432167/
https://www.ncbi.nlm.nih.gov/pubmed/32756326
http://dx.doi.org/10.3390/ijms21155542

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