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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
MDPI
2020
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| Materias: | |
| 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 |