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AutoGrow4: an open-source genetic algorithm for de novo drug design and lead optimization
We here present AutoGrow4, an open-source program for semi-automated computer-aided drug discovery. AutoGrow4 uses a genetic algorithm to evolve predicted ligands on demand and so is not limited to a virtual library of pre-enumerated compounds. It is a useful tool for generating entirely novel drug-...
| 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/PMC7165399/ https://www.ncbi.nlm.nih.gov/pubmed/33431021 http://dx.doi.org/10.1186/s13321-020-00429-4 |