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- W2391648247 abstract "The quantum-chemical descriptors were used on the study of structures of benzoic acid derivatives and their pK_a values, and the algorithms of multiple linear regression(MLR) and artificial neural network(ANN) were applied for 2D-QSPR. The comparative molecular field analysis(CoMFA) method was used for 3D-QSPR. Better results have been obtained. The influences of steric and electrostatic effects were discussed." @default.
- W2391648247 created "2016-06-24" @default.
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- W2391648247 date "2002-01-01" @default.
- W2391648247 modified "2023-09-25" @default.
- W2391648247 title "Correlation Analysis of Structures and pK_a Values of Benzoic Acid Derivatives by Quantum-Chemical Descriptors and CoMFA method" @default.
- W2391648247 hasPublicationYear "2002" @default.
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