In this work the advantages of using artificial neural networks (ANNs) combined with experimental design (ED) to optimize the separation of amino acids enantiomers, with ␣-cyclodextrin as chiral selector, were demonstrated. The results obtained with the ED-ANN approach were compared with those of ei
✦ LIBER ✦
Combining artificial neural networks and experimental design to prediction of kinetic rate constants
✍ Scribed by J. L. González-Hernández, M. Mar Canedo…
- Book ID
- 120721054
- Publisher
- Springer
- Year
- 2013
- Tongue
- English
- Weight
- 765 KB
- Volume
- 51
- Category
- Article
- ISSN
- 0259-9791
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An artificial neural network (ANN) method for the prediction of force constants of chemical bonds in large, polyatomic molecules was developed. The force constant information evaluated is to be used for generating accurate estimates of the Hessian used in Newton-Raphson-type ab initio molecular stru