Similarity searching in large combinatorial chemistry spaces
- 1 January 2001
- journal article
- Published by Springer Science and Business Media LLC in Journal of Computer-Aided Molecular Design
- Vol. 15 (6), 497-520
- https://doi.org/10.1023/a:1011144622059
Abstract
We present a novel algorithm, called Ftrees-FS, for similarity searching in large chemistry spaces based on dynamic programming. Given a query compound, the algorithm generates sets of compounds from...Keywords
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