Global ETD Search
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Showing 1 to 2 of 2 for “"lead hopping"”.
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Graph kernel extensions and experiments with application to molecule classification, lead hopping and multiple targets
… Second, we explore the related problem of lead hopping. Here one set of chemicals is used to predict another that is structurally dissimilar. We discuss the problems that arise due to the fact that some patterns are filtered from the dataset. By analyzing lead hopping we are able to go …
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Development of poly(ADP-ribose) glycohydrolase inhibitors and tetracyclic indoles as anticancer compounds
… Phenotype-based approaches have consistently lead to the discovery of successful drugs and with recent improvements in target-identification methods, these approaches are regaining popularity. Described herein is the target-based development of poly(ADP-ribose) glycohydrolase (PARG) inhibitors …