Average Information Content Maximization—A New Approach for Fingerprint Hybridization and Reduction
Fingerprints, bit representations of compound chemical structure, have been widely used in cheminformatics for many years. Although fingerprints with the highest resolution display satisfactory performance in virtual screening campaigns, the presence of a relatively high number of irrelevant bits in...
| Main Authors: | , |
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| Format: | Online |
| Language: | English |
| Published: |
Public Library of Science
2016
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4718645/ |