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2010 – 2019
- 2015
[j17]Daniel Cappel
, Steven L. Dixon, Woody Sherman, Jianxin Duan:
Exploring conformational search protocols for ligand-based virtual screening and 3-D QSAR modeling. J. Comput. Aided Mol. Des. 29(2): 165-182 (2015)- 2013
- [j16]Yuling An, Woody Sherman, Steven L. Dixon:
Kernel-Based Partial Least Squares: Application to Fingerprint-Based QSAR with Model Visualization. J. Chem. Inf. Model. 53(9): 2312-2321 (2013) - 2011
- [j15]Jianxin Duan, G. Madhavi Sastry, Steven L. Dixon, Jeffrey F. Lowrie, Woody Sherman:
Analysis and comparison of 2D fingerprints: insights into database screening performance using eight fingerprint methods. J. Cheminformatics 3(S-1): 1 (2011) - [j14]G. Madhavi Sastry, Steven L. Dixon, Woody Sherman:
Rapid Shape-Based Ligand Alignment and Virtual Screening Method Based on Atom/Feature-Pair Similarities and Volume Overlap Scoring. J. Chem. Inf. Model. 51(10): 2455-2466 (2011) - 2010
- [j13]G. Madhavi Sastry, Jeffrey F. Lowrie, Steven L. Dixon, Woody Sherman:
Large-Scale Systematic Analysis of 2D Fingerprint Methods and Parameters to Improve Virtual Screening Enrichments. J. Chem. Inf. Model. 50(5): 771-784 (2010)
2000 – 2009
- 2006
- [j12]Steven L. Dixon, Alexander M. Smondyrev, Eric H. Knoll, Shashidhar N. Rao, David E. Shaw, Richard A. Friesner:
PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results. J. Comput. Aided Mol. Des. 20(10-11): 647-671 (2006) - 2005
- [j11]Steven L. Dixon, Kenneth M. Merz Jr., Giorgio Lauri, James C. Ianni:
QMQSAR: Utilization of a semiempirical probe potential in a field-based QSAR method. J. Comput. Chem. 26(1): 23-34 (2005) - 2004
- [j10]Robert Kirk DeLisle, Steven L. Dixon:
Induction of Decision Trees via Evolutionary Programming. J. Chem. Inf. Model. 44(3): 862-870 (2004) - 2003
- [j9]Ailan Cheng, Steven L. Dixon:
In silico models for the prediction of dose-dependent human hepatotoxicity. J. Comput. Aided Mol. Des. 17(12): 811-823 (2003) - [j8]Roberta Susnow, Steven L. Dixon:
Use of Robust Classification Techniques for the Prediction of Human Cytochrome P450 2D6 Inhibition. J. Chem. Inf. Comput. Sci. 43(4): 1308-1315 (2003) - 2002
- [j7]Ailan Cheng, David J. Diller, Steven L. Dixon, William J. Egan, George Lauri, Kenneth M. Merz Jr.:
Computation of the physio-chemical properties and data mining of large molecular collections. J. Comput. Chem. 23(1): 172-183 (2002) - 2000
- [j6]Arjan van der Vaart, Valentin Gogonea, Steven L. Dixon, Kenneth M. Merz Jr.:
Linear scaling molecular orbital calculations of biological systems using the semiempirical divide and conquer method. J. Comput. Chem. 21(16): 1494-1504 (2000)
1990 – 1999
- 1999
- [j5]Steven L. Dixon, Hugo O. Villar:
Investigation of classification methods for the prediction of activity in diverse chemical libraries. J. Comput. Aided Mol. Des. 13(5): 533-545 (1999) - 1998
- [j4]Steven L. Dixon, Hugo O. Villar:
Bioactive Diversity and Screening Library Selection via Affinity Fingerprinting. J. Chem. Inf. Comput. Sci. 38(6): 1192-1203 (1998) - 1995
- [j3]Jon M. Sutter, Steven L. Dixon, Peter C. Jurs:
Automated Descriptor Selection for Quantitative Structure-Activity Relationships Using Generalized Simulated Annealing. J. Chem. Inf. Comput. Sci. 35(1): 77-84 (1995) - 1994
- [j2]Steven L. Dixon, Peter C. Jurs:
Fast Geometry Optimization Using a Modifed Extended Hückel Method: Results for Molecules Containing H, C, N, O, and F. J. Comput. Chem. 15(7): 733-746 (1994) - 1993
- [j1]Steven L. Dixon, Peter C. Jurs:
Estimation of pKa for organic oxyacids using calculated atomic charges. J. Comput. Chem. 14(12): 1460-1467 (1993)
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