This e-book specializes in functions of compound library layout and digital screening to extend the bioactive chemical area, to focus on hopping of chemotypes to spot synergies inside comparable drug discovery initiatives or to repurpose identified medications, to suggest mechanism of motion of compounds, or to spot off-target results through cross-reactivity research. either ligand-based and structure-based in silico techniques, as reviewed during this publication, play very important roles for these kind of purposes. Computational chemogenomics is anticipated to extend the standard and productiveness of drug discovery and bring about the invention of latest medicines.
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