Open AccessFast Prediction of the Equivalent Alkane Carbon Number Using Graph Machines and Neural Networks
Author(s) -
Lucie Delforce,
François Duprat,
Jean-Luc Ploix,
Jesús F. Ontiveros,
Valentin Goussard,
Véronique NardelloRataj,
JeanMarie Aubry
Publication year - 2022
Publication title -
acs omega
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.779
H-Index - 40
ISSN - 2470-1343
DOI - 10.1021/acsomega.2c04592
Subject(s) - artificial neural network , alkane , computer science , software , carbon number , molecular descriptor , set (abstract data type) , graph , homologous series , quantitative structure–activity relationship , algorithm , artificial intelligence , biological system , machine learning , chemistry , theoretical computer science , hydrocarbon , organic chemistry , alkyl , biology , programming language