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CProMG: controllable protein-oriented molecule generation with desired binding affinity and drug-like properties
MOTIVATION: Deep learning-based molecule generation becomes a new paradigm of de novo molecule design since it enables fast and directional exploration in the vast chemical space. However, it is still an open issue to generate molecules, which bind to specific proteins with high-binding affinities w...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2023
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10311289/ https://www.ncbi.nlm.nih.gov/pubmed/37387157 http://dx.doi.org/10.1093/bioinformatics/btad222 |