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Linear and nonlinear functions on modeling of aqueous solubility of organic compounds by two structure representation methods |
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| Authors: | Aixia Yan Johann Gasteiger Michael Krug Soheila Anzali |
| Institution: | 1. Computer-Chemie-Centrum and Institut für Organische Chemie, Universit?t Erlangen-Nürnberg, N?gelsbachstrasse 25, D-91052, Erlangen, Germany 3. Merck KGaA, Global Technology BCI, D-64271, Darmstadt, Germany |
| Abstract: | |
| Keywords: | backpropagation Kohonen's self-organizing neural network multi-linear regression neural network radial distribution function solubility |
| 本文献已被 PubMed SpringerLink 等数据库收录！ | |