ElectroPredictor: An Application to Predict Mayr’s Electrophilicity <i>E</i> through Implementation of an Ensemble Model Based on Machine Learning Algorithms-Reference-Cited by-同舟云学术

ElectroPredictor: An Application to Predict Mayr’s Electrophilicity E through Implementation of an Ensemble Model Based on Machine Learning Algorithms

Published:2023-01-03 Issue:2 Volume:63 Page:507-521
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Cuesta Sebastián A.¹²,Moreno Martín¹^ORCID,López Romina A.³,Mora José R.¹^ORCID,Paz José Luis⁴^ORCID,Márquez Edgar A.⁵^ORCID

Affiliation:

1. Instituto de Simulación Computacional (ISC-USFQ), Departamento de Ingeniería Química, Universidad San Francisco de Quito, Diego de Robles y Vía Interoceánica, Quito170901, Ecuador

2. Department of Chemistry, Manchester Institute of Biotechnology, The University of Manchester, 131 Princess Street, ManchesterM1 7DN, U.K.

3. Colegio San Ignacio de Loyola─Fe y Alegría, Ministerio de Educación, Quito170901, Ecuador

4. Departamento Académico de Química Inorgánica, Facultad de Química e Ingeniería Química, Universidad Nacional Mayor de San Marcos, Cercado de Lima, Lima15081, Peru

5. Grupo de Investigaciones en Química y Biología, Departamento de Química y Biología, Facultad de Ciencias Exactas, Universidad del Norte, Carrera 51B, Km 5, vía Puerto Colombia, Barranquilla081007, Colombia

Funder

Universidad San Francisco de Quito

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01367

Reference74 articles.

1. Electrophilicity Index

2. Update 1 of: Electrophilicity Index

3. Kinetics and mechanisms of gas-phase elimination of 2,2-diethoxyethyl amine and 2,2-diethoxy-N,N-diethylethanamine