Prediction of the Dissociation Constant p of Organic Acids from Local Molecular Parameters of Their Electronic Ground State. | 1 | 0.39 | 2011 |
Modeling the H bond donor strength of -OH, -NH, and -CH sites by local molecular parameters. | 3 | 0.47 | 2009 |
External validation and prediction employing the predictive squared correlation coefficient test set activity mean vs training set activity mean. | 22 | 2.05 | 2008 |
Model Selection Based on Structural Similarity-Method Description and Application to Water Solubility Prediction. | 5 | 0.65 | 2006 |
Description of the Electronic Structure of Organic Chemicals Using Semiempirical and Ab Initio Methods for Development of Toxicological QSARs. | 2 | 0.84 | 2005 |
Multilinear Regression and Comparative Molecular Field Analysis (CoMFA) of Azo Dye-Fiber Affinities. 2. Inclusion of Solution-Phase Molecular Orbital Descriptors. | 1 | 0.36 | 2003 |
Comparative molecular field analysis (CoMFA) of anionic azo dye-fiber affinities I: gas-phase molecular orbital descriptors. | 1 | 0.36 | 2002 |
Application of Neural Networks to Modeling and Estimating Temperature-Dependent Liquid Viscosity of Organic Compounds. | 1 | 0.67 | 2001 |
Prediction of Henry's law constant of benzene derivatives using quantum chemical continuum-solvation models | 2 | 0.56 | 2000 |
Analysis of the Flow Patterns of Liquid Organic Compounds between Blade Electrodes by Classification Models. | 0 | 0.34 | 2000 |
Simple Algorithms for Determining the Molecular Symmetry | 10 | 0.94 | 1999 |
Development of Both Linear and Nonlinear Methods To Predict the Liquid Viscosity at 20 C of Organic Compounds | 6 | 1.02 | 1997 |