We introduce a quantum-classical generative model for small-molecule design, specifically targeting KRAS inhibitors for cancer therapy. We apply the method to design, select and synthesize 15 proposed molecules that could notably engage with KRAS for cancer therapy, with two holding promise for future development as inhibitors. This work showcases the potential of quantum computing to generate experimentally validated hits that compare favorably against classical models.
View Article and Find Full Text PDFIn some peanut (Arachis hypogaea L.) producing regions, growth and photosynthesis-limiting low and high temperature extremes are common. Heat acclimation potential of photosynthesis and respiration is a coping mechanism that is species-dependent and should be further explored for peanut.
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