Cargando…
General Purpose Structure-Based Drug Discovery Neural Network Score Functions with Human-Interpretable Pharmacophore Maps
[Image: see text] The BioChemical Library (BCL) is an academic open-source cheminformatics toolkit comprising ligand-based virtual high-throughput screening (vHTS) tools such as quantitative structure–activity/property relationship (QSAR/QSPR) modeling, small molecule flexible alignment, small molec...
| Autores principales: | , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2021
|
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7903419/ https://www.ncbi.nlm.nih.gov/pubmed/33496578 http://dx.doi.org/10.1021/acs.jcim.0c01001 |