A carregar...

A Mixed Quantum Chemistry/Machine Learning Approach for the Fast and Accurate Prediction of Biochemical Redox Potentials and Its Large-Scale Application to 315 000 Redox Reactions

[Image: see text] A quantitative understanding of the thermodynamics of biochemical reactions is essential for accurately modeling metabolism. The group contribution method (GCM) is one of the most widely used approaches to estimate standard Gibbs energies and redox potentials of reactions for which...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:ACS Cent Sci
Main Authors: Jinich, Adrian, Sanchez-Lengeling, Benjamin, Ren, Haniu, Harman, Rebecca, Aspuru-Guzik, Alán
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2019
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6661861/
https://ncbi.nlm.nih.gov/pubmed/31404220
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acscentsci.9b00297
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!