Estimation of pKa for organic oxyacids using calculated atomic charges. - Steven L. Dixon; Peter C. Jurs (J. Comput. Chem., 1993)

Fast Geometry Optimization Using a Modifed Extended Hückel Method: Results for Molecules Containing H, C, N, O, and F. - Steven L. Dixon; Peter C. Jurs (J. Comput. Chem., 1994)

Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. - Jon M. Sutter; Steven L. Dixon; Peter C. Jurs (J. Chem. Inf. Comput. Sci., 1995)

Bioactive Diversity and Screening Library Selection via Affinity Fingerprinting. - Steven L. Dixon; Hugo O. Villar (J. Chem. Inf. Comput. Sci., 1998)

Investigation of classification methods for the prediction of activity in diverse chemical libraries. - Steven L. Dixon; Hugo O. Villar (J. Comput. Aided Mol. Des., 1999)

Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method. - Arjan van der Vaart; Valentin Gogonea; Steven L. Dixon; Kenneth M. Merz Jr. (J. Comput. Chem., 2000)

Computation of the physio-chemical properties and data mining of large molecular collections. - Ailan Cheng; David J. Diller; Steven L. Dixon; William J. Egan; George Lauri; Kenneth M. Merz Jr. (J. Comput. Chem., 2002)

In silico models for the prediction of dose-dependent human hepatotoxicity. - Ailan Cheng; Steven L. Dixon (J. Comput. Aided Mol. Des., 2003)

Use of Robust Classification Techniques for the Prediction of Human Cytochrome P450 2D6 Inhibition. - Roberta Susnow; Steven L. Dixon (J. Chem. Inf. Comput. Sci., 2003)

Induction of Decision Trees via Evolutionary Programming. - Robert Kirk DeLisle; Steven L. Dixon (J. Chem. Inf. Model., 2004)

QMQSAR: Utilization of a semiempirical probe potential in a field-based QSAR method. - Steven L. Dixon; Kenneth M. Merz Jr.; Giorgio Lauri; James C. Ianni (J. Comput. Chem., 2005)

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. - Steven L. Dixon; Alexander M. Smondyrev; Eric H. Knoll; Shashidhar N. Rao; David E. Shaw; Richard A. Friesner (J. Comput. Aided Mol. Des., 2006)

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments. - G. Madhavi Sastry; Jeffrey F. Lowrie; Steven L. Dixon; Woody Sherman (J. Chem. Inf. Model., 2010)

Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods. - Jianxin Duan; G. Madhavi Sastry; Steven L. Dixon; Jeffrey F. Lowrie; Woody Sherman (J. Cheminformatics, 2011)

Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring. - G. Madhavi Sastry; Steven L. Dixon; Woody Sherman (J. Chem. Inf. Model., 2011)

Kernel-Based Partial Least Squares: Application to Fingerprint-Based QSAR with Model Visualization. - Yuling An; Woody Sherman; Steven L. Dixon (J. Chem. Inf. Model., 2013)

Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling. - Daniel Cappel; Steven L. Dixon; Woody Sherman; Jianxin Duan (J. Comput. Aided Mol. Des., 2015)