S. Dixon

发表

Quantitative structure‐activity relationships for toxicity of phenols using regression analysis and computational neural networks

Jon W. Ball, P. Jurs, Lu Xu, 1994 .

Semiempirical molecular orbital calculations with linear system size scaling

S. L. Dixon, K. Merz, S. Dixon, 1996 .

Fast, accurate semiempirical molecular orbital calculations for macromolecules

S. L. Dixon, K. Merz, S. Dixon, 1997 .

One-dimensional molecular representations and similarity calculations: methodology and validation.

S. L. Dixon, S. Dixon, K. Merz, 2001, Journal of medicinal chemistry.

Induction of Decision Trees via Evolutionary Programming

Steven L. Dixon, Robert Kirk DeLisle, S. Dixon, 2004, J. Chem. Inf. Model..

The hidden component of size in two-dimensional fragment descriptors: side effects on sampling in bioactive libraries.

S. L. Dixon, S. Dixon, R. Koehler, 1999, Journal of medicinal chemistry.

Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method

S. L. Dixon, Valentin Gogonea, K. Merz, 2000, J. Comput. Chem..

Reliable and Accurate Solution to the Induced Fit Docking Problem for Protein-Ligand Binding.

Daniel J. Sindhikara, Matthew J. Grisewood, Steven V. Jerome, 2020, Journal of chemical theory and computation.

Estimation of pKa for organic oxyacids using calculated atomic charges

Peter C. Jurs, Steven L. Dixon, S. L. Dixon, 1993, J. Comput. Chem..

Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring

Woody Sherman, G. Madhavi Sastry, Steven L. Dixon, 2011, J. Chem. Inf. Model..

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

David E. Shaw, Richard A. Friesner, Steven L. Dixon, 2006, J. Comput. Aided Mol. Des..

AutoQSAR: an automated machine learning tool for best-practice quantitative structure-activity relationship modeling.

Woody Sherman, Steven L Dixon, Matthew P. Repasky, 2016, Future medicinal chemistry.

Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods

Woody Sherman, G. Madhavi Sastry, Steven L. Dixon, 2010, J. Cheminformatics.

PHASE: A Novel Approach to Pharmacophore Modeling and 3D Database Searching

Steven L Dixon, Alexander M Smondyrev, Shashidhar N Rao, 2006, Chemical biology & drug design.

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments

Woody Sherman, G. Madhavi Sastry, Steven L. Dixon, 2010, J. Chem. Inf. Model..

Kernel-Based Partial Least Squares: Application to Fingerprint-Based QSAR with Model Visualization

Woody Sherman, Steven L. Dixon, Yuling An, 2013, J. Chem. Inf. Model..

Computation of the physio‐chemical properties and data mining of large molecular collections

Kenneth M. Merz, Steven L. Dixon, Ailan Cheng, 2002, J. Comput. Chem..

Fast geometry optimization using a modified extended Hückel method: Results for molecules containing H, C, N, O, and F

Peter C. Jurs, Steven L. Dixon, S. L. Dixon, 1994, J. Comput. Chem..

Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing

Peter C. Jurs, Steven L. Dixon, Jon M. Sutter, 1995, J. Chem. Inf. Comput. Sci..

Investigation of classification methods for the prediction of activity in diverse chemical libraries

Steven L. Dixon, Hugo O. Villar, S. L. Dixon, 1999, J. Comput. Aided Mol. Des..

Bioactive Diversity and Screening Library Selection via Affinity Fingerprinting

Steven L. Dixon, Hugo O. Villar, S. L. Dixon, 1998, J. Chem. Inf. Comput. Sci..

Divide and Conquer for Semiempirical MO Methods

S. L. Dixon, K. Merz, S. Dixon, 2002 .

Parallel implementation of a divide and conquer semiempirical algorithm

Steven L. Dixon, Kenneth M. Merz, Jr., S. Dixon, 1998 .

Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling

Daniel Cappel, Woody Sherman, Steven L. Dixon, 2015, Journal of Computer-Aided Molecular Design.

Use of Robust Classification Techniques for the Prediction of Human Cytochrome P450 2D6 Inhibition

Steven L. Dixon, Roberta Susnow, S. L. Dixon, 2003, J. Chem. Inf. Comput. Sci..

LASSOO: a generalized directed diversity approach to the design and enrichment of chemical libraries.

S. L. Dixon, H O Villar, H. Villar, 1999, Journal of medicinal chemistry.

Atomic charge calculations for quantitative structure—property relationships

Peter C. Jurs, Steven L. Dixon, S. L. Dixon, 1992 .