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SUMMARY:Development of a New Descriptor of Electronic Topology to Accelerat
 e Bioisostere Discovery
LOCATION:Chemistry A101
TZID:America/Denver
DTSTART:20240401T160000
UID:2026-04-26-08-41-18@natsci.colostate.edu
DTSTAMP:20260426T084118
Description:About the Seminar:\n\nThe growing scale and scope of computatio
 nal exploration of pharmaceutical chemical space requires the development 
 of novel molecular descriptors\, particularity lacking is the development 
 of low dimension representation of electronic topologies in a format that 
 is both computationally efficient and informative. To this end this resear
 ch proposal lays out the development of a persistent homology-based descr
 iption of electronic topology and its application to the discovery of nove
 l bioisosteric motifs. 4:00 pm
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