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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...
Gardado en:
| Publicado en: | J Chem Inf Model |
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| Main Authors: | , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado: |
American Chemical Society
2021
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| Acceso en liña: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7903419/ https://ncbi.nlm.nih.gov/pubmed/33496578 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.0c01001 |
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