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EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generation
The objective of this work is to design a molecular generator capable of exploring known as well as unfamiliar areas of the chemical space. Our method must be flexible to adapt to very different problems. Therefore, it has to be able to work with or without the influence of prior data and knowledge....
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| Publicado no: | J Cheminform |
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| Main Authors: | , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Springer International Publishing
2020
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7494000/ https://ncbi.nlm.nih.gov/pubmed/33431049 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00458-z |
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