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Quantitative structure-enantioselectivity relationships using neural networks. Bioconversion of carbonyl compounds using baker's yeast (1996)

Zakarya, Driss ; Farhaoui, Lahbib ; Fkih-Tétouani, Souâd

Chichester : Wiley-Blackwell

Journal of Physical Organic Chemistry 9 (1996), S. 672-676

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ISSN: 0894-3230

Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry

Source: Wiley InterScience Backfile Collection 1832-2000

Topics: Chemistry and Pharmacology , Physics

Notes: Quantitative structure-enantioselectivity relationships were studied for the reduction of a set of 73 carbonyl compounds with baker's yeast. The established model, using a neural network, allowed the prediction of the reduction selectivity (%S enantiomer) with success. The correlation coefficient between the observed and calculated %S was 0·99. The model was also used to predict the enantioselectivity of the reduction of α-diketones using baker's yeast and different microorganisms.

Additional Material: 3 Ill.

Type of Medium: Electronic Resource

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