“…Exactly11304 compounds from four databases (Afrodb, NANPDB, Afrocancer, and ConmedNP) were curated and filtered to remove structural alerts and compounds that violate drug-like rules according to Lipinski and Veber, using KNIME analytics. The resulting druglikeNP dataset (437 compounds) had its, chemical space, scaffold diversity, and complexity analyzed using scaled Shannon entropy and cyclic system retrieval curves (CSR). …”
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