Property Distributions: Differences between Drugs, Natural Products, and Molecules from Combinatorial Chemistry

By Miklos Feher, Jonathan M. Schmidt. Journal of chemical information and computer sciences, 2003

834 citations recorded by the source corpus.

View Paper: https://www.semanticscholar.org/paper/45fa549eabcb14ecd501b999afc3f865ecaacb69

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Citations in the corpus

Drug development from marine natural products (2009, background): “A multivariate comparison of the chemical space occupied by thousands of combinatorial drug compounds with that of natural products revealed a strikingly good correlation of clinically approved drug molecules with the latter, but not the forme”
Lessons from the past and charting the future of marine natural products drug discovery and chemical biology (2012, background): “…appetite of HTS for large numbers of chemical substances has placed emphasis on quantity rather than quality, andmost synthetic libraries are populated by planarmolecules of low chemodiversity, and more importantly, do not match well to drug chemical space (Feher and Schmidt, 2003; Rouhi, 2003).”
Drug discovery from medicinal plants. (2005, background): “, chiral centers, aromatic rings, complex ring systems, degree of molecule saturation, and number and ratio of heteroatoms) have been shown to be highly relevant to drug discovery efforts (Lee and Schneider, 2001; Feher and Schmidt, 2003; Clardy and Walsh, 2004; Piggott and Karuso, 2004; Koehn and C”
Artificial Intelligence For Natural Product Drug Discovery (2023, methodology): “The metabolomics field, for example, has initiated the Metabolomics Stand-ards Initiative 179 , which describes key parameters to report to facilitate quality assessment.”
Discovery and resupply of pharmacologically active plant-derived natural products: A review (2015, background): “Other differences are the complexity of ring systems and the degree of saturation (Feher and Schmidt, 2003; Koehn and Carter, 2005; Lee and Schneider, 2001; Stahura et al., 2000).”
Virtual screening strategies in drug discovery: a critical review. (2013, background): “Notably, despite the tremendous impact that natural products have historically had on drug discovery [9], there are substantial differences between the structures of synthetic drugs and natural products [10].”