Data analysis associated with complexity to diversity project focused on pleuromutilin
structures
Contains the initial datasets for analysis
- AOD8: Approved Oncology Drug Set VIII
- MLSMR-NP: Natural Products from the MLSMR library available on PubChem "MLSMR"[SourceName]
- OSheaMoser: Antibiotics described in O'Shea, R. & Moser, H. E. J. Med. Chem. 51, 2871–2878 (2008).
- PNAS_CC: commercial compounds from Clemons, P. A. et al. Proc. Natl. Acad. Sci. 107, 18787–18792 (2010).
- PNAS_DC: diverse compounds from Clemons, P. A. et al. Proc. Natl. Acad. Sci. 107, 18787–18792 (2010).
- PNAS_NP: natural products from Clemons, P. A. et al. Proc. Natl. Acad. Sci. 107, 18787–18792 (2010).
- chembridge_dvs_cl: ChemBridge DIVERSet-EXP
- chembridge_dvs_exp: ChemBridge DIVERSet-CL
- chembridge_dvs_microFormat: ChemBridge MicroFormat Library
- drugbank: structures from drugbank.ca
- pleuromutilin: molecules derived from pleuromutilin using the CtD method
Compound collections can be downloaded from Box https://uofi.box.com/v/pjh-cmpd-collections