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Deep learning and generative methods in cheminformatics and chemical biology: navigating small molecule space intelligently
The number of ‘small’ molecules that may be of interest to chemical biologists — chemical space — is enormous, but the fraction that have ever been made is tiny. Most strategies are discriminative, i.e. have involved ‘forward’ problems (have molecule, establish properties). However, we normally wish...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Portland Press Ltd.
2020
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7733676/ https://www.ncbi.nlm.nih.gov/pubmed/33290527 http://dx.doi.org/10.1042/BCJ20200781 |