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MOLER: Incorporate Molecule-Level Reward to Enhance Deep Generative Model for Molecule Optimization
The goal of molecular optimization is to generate molecules similar to a target molecule but with better chemical properties. Deep generative models have shown great success in molecule optimization. However, due to the iterative local generation process of deep generative models, the resulting mole...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9802662/ https://www.ncbi.nlm.nih.gov/pubmed/36590707 http://dx.doi.org/10.1109/tkde.2021.3052150 |