Cargando…
A decision-theoretic approach to the evaluation of machine learning algorithms in computational drug discovery
MOTIVATION: Artificial intelligence, trained via machine learning (e.g. neural nets, random forests) or computational statistical algorithms (e.g. support vector machines, ridge regression), holds much promise for the improvement of small-molecule drug discovery. However, small-molecule structure-ac...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2019
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6853675/ https://www.ncbi.nlm.nih.gov/pubmed/31070704 http://dx.doi.org/10.1093/bioinformatics/btz293 |