Computational screening of combinatorial catalyst librariesElectronic supplementary information (ESI) available: predicted and observed e.e. values for the 88 catalysts in the library; full CoMFA parameters; aligned molecular coordinates. See http://www.rsc.org/suppdata/cc/b4/b402378a/
- 17 May 2004
- journal article
- research article
- Published by Royal Society of Chemistry (RSC) in Chemical Communications
- No. 12,p. 1410-1411
- https://doi.org/10.1039/b402378a
Abstract
A catalyst design methodology, utilizing combinatorial synthesis in parallel with chemometric analysis, is presented, which considers the 3D steric and electrostatic properties of substituents about a constant core structure.Keywords
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