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A semi-supervised learning framework for quantitative structure–activity regression modelling
MOTIVATION: Quantitative structure–activity relationship (QSAR) methods are increasingly used in assisting the process of preclinical, small molecule drug discovery. Regression models are trained on data consisting of a finite-dimensional representation of molecular structures and their correspondin...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8058768/ https://www.ncbi.nlm.nih.gov/pubmed/32777821 http://dx.doi.org/10.1093/bioinformatics/btaa711 |