Combined Machine Learning and Molecular Modelling Workflow for the Recognition of Potentially Novel Fungicides

Novel machine learning and molecular modelling filtering procedures for drug repurposing have been carried out for the recognition of the novel fungicide targets of Cyp51 and Erg2. Classification and regression approaches on molecular descriptors have been performed using stepwise multilinear regres...

Descripción completa

Detalles Bibliográficos
Autores principales: Jović, Ozren, Šmuc, Tomislav
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7249108/
https://www.ncbi.nlm.nih.gov/pubmed/32397151
http://dx.doi.org/10.3390/molecules25092198

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7249108/
https://www.ncbi.nlm.nih.gov/pubmed/32397151
http://dx.doi.org/10.3390/molecules25092198

Ejemplares similares