2021 our findings demonstrate the ability of explainable machine learning to bridge between predictions and intuitive chemical analysis and reveal characteristic substructures of. We show that the molecules. 2024 the discovery of new crystalline inorganic compoundsnovel compositions of matter within known structure types, or even compounds with completely new crystal. Herein we attempt to highlight selected investigations in which ai has shown promise to impact medicinal chemistry in areas such as compound design and synthesis.
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