Predicting experimental electrophilicities from quantum and topological descriptors: A machine learning approach

Autor:	Sébastien Adam, Guillaume Hoffmann, Muhammet Balcilar, Benoit Gaüzère, Vincent Tognetti, Laurent Joubert, Pierre Héroux
Rok vydání:	2020
Předmět:	Computational Mathematics Theoretical computer science Computer science Decision tree General Chemistry Quantum
Zdroj:	Journal of Computational Chemistry. 41:2124-2136
ISSN:	1096-987X 0192-8651
DOI:	10.1002/jcc.26376
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::7cd2b97e4e846714e48be5f9ddb75700 https://doi.org/10.1002/jcc.26376 Zobrazit plný text záznamu Plný text