A novel algorithm for QSAR
✍ Scribed by Stuart Carter; Sonja Nikolić; Nenad Trinajstić
- Book ID
- 104582685
- Publisher
- John Wiley and Sons
- Year
- 2009
- Tongue
- English
- Weight
- 321 KB
- Volume
- 36
- Category
- Article
- ISSN
- 0020-7608
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In this paper, a new algorithm, the nonlinear PLS improved by the numeric genetic algorithm, called NPLSNGA, is applied to deal with nonlinear functions for inner relationship in QSAR. The NGA is used twice in NPLSNGA, once for nonlinear regression, and the other use is for nonlinear equations. Usin
## Abstract A new computer program has been designed to build and analyze quantitative–structure activity relationship (QSAR) models through regression analysis. The user is provided with a range of regression and validation techniques. The emphasis of the program lies mainly in the validation of Q