Steven L. Dixon - researchr alias

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Viewing Publication 1 - 17 from 17

2015

Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modelingDaniel Cappel, Steven L. Dixon, Woody Sherman, Jianxin Duan. jcamd, 29(2):165-182, 2015. [doi]

2013

Kernel-Based Partial Least Squares: Application to Fingerprint-Based QSAR with Model VisualizationYuling An, Woody Sherman, Steven L. Dixon. jcisd, 53(9):2312-2321, 2013. [doi]

2011

Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methodsJianxin Duan, G. Madhavi Sastry, Steven L. Dixon, Jeffrey F. Lowrie, Woody Sherman. jcheminf, 3(S-1):1, 2011. [doi]

Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap ScoringG. Madhavi Sastry, Steven L. Dixon, Woody Sherman. jcisd, 51(10):2455-2466, 2011. [doi]

2010

Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening EnrichmentsG. Madhavi Sastry, Jeffrey F. Lowrie, Steven L. Dixon, Woody Sherman. jcisd, 50(5):771-784, 2010. [doi]

2006

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary resultsSteven L. Dixon, Alexander M. Smondyrev, Eric H. Knoll, Shashidhar N. Rao, David E. Shaw, Richard A. Friesner. jcamd, 20(10-11):647-671, 2006. [doi]

2005

QMQSAR: Utilization of a semiempirical probe potential in a field-based QSAR methodSteven L. Dixon, Kenneth M. Merz Jr., Giorgio Lauri, James C. Ianni. jcc, 26(1):23-34, 2005. [doi]

2004

Induction of Decision Trees via Evolutionary ProgrammingRobert Kirk DeLisle, Steven L. Dixon. jcisd, 44(3):862-870, 2004. [doi]

2003

In silico models for the prediction of dose-dependent human hepatotoxicityAilan Cheng, Steven L. Dixon. jcamd, 17(12):811-823, 2003.

Use of Robust Classification Techniques for the Prediction of Human Cytochrome P450 2D6 InhibitionRoberta Susnow, Steven L. Dixon. jcisd, 43(4):1308-1315, 2003. [doi]

2002

Computation of the physio-chemical properties and data mining of large molecular collectionsAilan Cheng, David J. Diller, Steven L. Dixon, William J. Egan, George Lauri, Kenneth M. Merz Jr.. jcc, 23(1):172-183, 2002. [doi]

2000

Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer methodArjan van der Vaart, Valentin Gogonea, Steven L. Dixon, Kenneth M. Merz Jr.. jcc, 21(16):1494-1504, 2000. [doi]

1999

Investigation of classification methods for the prediction of activity in diverse chemical librariesSteven L. Dixon, Hugo O. Villar. jcamd, 13(5):533-545, 1999. [doi]

1998

Bioactive Diversity and Screening Library Selection via Affinity FingerprintingSteven L. Dixon, Hugo O. Villar. jcisd, 38(6):1192-1203, 1998. [doi]

1995

Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated AnnealingJon M. Sutter, Steven L. Dixon, Peter C. Jurs. jcisd, 35(1):77-84, 1995.

1994

Fast Geometry Optimization Using a Modifed Extended Hückel Method: Results for Molecules Containing H, C, N, O, and FSteven L. Dixon, Peter C. Jurs. jcc, 15(7):733-746, 1994.

1993

a for organic oxyacids using calculated atomic chargesSteven L. Dixon, Peter C. Jurs. jcc, 14(12):1460-1467, 1993. [doi]

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