Asymmetric Catalytic Ketone Hydrogenation: Relating Substrate Structure and Product Enantiomeric Excess Using QSPR
- 1 February 2005
- journal article
- research article
- Published by Wiley in QSAR & Combinatorial Science
- Vol. 24 (1) , 94-98
- https://doi.org/10.1002/qsar.200420060
Abstract
No abstract availableKeywords
This publication has 21 references indexed in Scilit:
- High-Throughput Experimentation in Pharmaceutical Process R&D: Developing a New Software Workflow to Overcome Downstream Data-Analysis Bottlenecks and Improve ProductivityOrganic Process Research & Development, 2004
- Status of HTS Data Mining ApproachesQSAR & Combinatorial Science, 2004
- 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/Chemical Communications, 2004
- Accelerated Process Development of Pharmaceuticals: Selective Catalytic Hydrogenations of Nitro Compounds Containing Other FunctionalitiesOrganic Process Research & Development, 2004
- Understanding Stereoinductionin Catalysis via Computer: New Tools for Asymmetric SynthesisSynlett, 2003
- Quantum Mechanical Models Correlating Structure with Selectivity: Predicting the Enantioselectivity of β-Amino Alcohol Catalysts in Aldehyde AlkylationJournal of the American Chemical Society, 2003
- The Power of High‐Throughput Experimentation in Homogeneous Catalysis Research for Fine ChemicalsEuropean Journal of Organic Chemistry, 2003
- Asymmetric Hydrogenation of Amino Ketones Using Chiral RuCl2(diphophine)(1,2-diamine) ComplexesJournal of the American Chemical Society, 2000
- Asymmetric Hydrogenation of Alkenyl, Cyclopropyl, and Aryl Ketones. RuCl2(xylbinap)(1,2-diamine) as a Precatalyst Exhibiting a Wide ScopeJournal of the American Chemical Society, 1998
- Multivariate Data Analysis of Molecular Descriptors Estimated by Use of Semiempirical Quantum Chemistry Methods. Principal Properties for Synthetic Screening of 2-Chloromethyloxirane and Analogous Bis-alkylating C3 Moieties.Acta Chemica Scandinavica, 1995