Understanding and improving zeroth-order optimization methods on AI-driven molecule optimization
نویسندگان
چکیده
Molecule optimization is an important problem in chemical discovery and has been approached using many techniques, including generative modeling, reinforcement learning, genetic algorithms, much more. Recent work also...
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ژورنال
عنوان ژورنال: Digital discovery
سال: 2023
ISSN: ['2635-098X']
DOI: https://doi.org/10.1039/d3dd00076a