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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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Détails bibliographiques
Publié dans:Int J Mol Sci
Auteurs principaux: Rakhimbekova, Assima, Madzhidov, Timur I., Nugmanov, Ramil I., Gimadiev, Timur R., Baskin, Igor I., Varnek, Alexandre
Format: Artigo
Langue:Inglês
Publié: MDPI 2020
Sujets:
Accès en ligne:https://ncbi.nlm.nih.gov/pmc/articles/PMC7432167/
https://ncbi.nlm.nih.gov/pubmed/32756326
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/ijms21155542
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