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ENTITY graph-based surrogate models

graph-based surrogate models

PulseAugur coverage of graph-based surrogate models — every cluster mentioning graph-based surrogate models across labs, papers, and developer communities, ranked by signal.

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  1. RESEARCH · CL_06346 ·

    Machine learning aids design of light-activated cancer drugs

    Researchers have developed a computational method to design photoactive PARP1 inhibitors for cancer treatment. By screening 5 million hypothetical ligands using machine learning and atomistic simulations, they identifie…