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DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology
The compound optimization monitor (COMO) approach was originally developed as a diagnostic approach to aid in evaluating development stages of analog series and progress made during lead optimization. COMO uses virtual analog populations for the assessment of chemical saturation of analog series and...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2020
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7595974/ https://www.ncbi.nlm.nih.gov/pubmed/33015739 http://dx.doi.org/10.1007/s10822-020-00349-3 |