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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...

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Bibliographic Details
Published in:Molecules
Main Authors: Jović, Ozren, Šmuc, Tomislav
Format: Artigo
Language:Inglês
Published: MDPI 2020
Subjects:
Online Access:https://ncbi.nlm.nih.gov/pmc/articles/PMC7249108/
https://ncbi.nlm.nih.gov/pubmed/32397151
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3390/molecules25092198
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