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Comprehensive ensemble in QSAR prediction for drug discovery
BACKGROUND: Quantitative structure-activity relationship (QSAR) is a computational modeling method for revealing relationships between structural properties of chemical compounds and biological activities. QSAR modeling is essential for drug discovery, but it has many constraints. Ensemble-based mac...
Tallennettuna:
| Julkaisussa: | BMC Bioinformatics |
|---|---|
| Päätekijät: | , , , |
| Aineistotyyppi: | Artigo |
| Kieli: | Inglês |
| Julkaistu: |
BioMed Central
2019
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| Aiheet: | |
| Linkit: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6815455/ https://ncbi.nlm.nih.gov/pubmed/31655545 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s12859-019-3135-4 |
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