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2010 – 2019
- 2019
[j26]Youyi Peng, Hiep Dong, William J. Welsh
:
Comprehensive 3D-QSAR Model Predicts Binding Affinity of Structurally Diverse Sigma 1 Receptor Ligands. J. Chem. Inf. Model. 59(1): 486-497 (2019)- 2018
- [j25]Joon S. Kang, Antonia L. Zhang, Mohammad Faheem, Charles J. Zhang, Ni Ai, John D. Buynak, William J. Welsh, Peter Oelschlaeger:
Virtual Screening and Experimental Testing of B1 Metallo-β-lactamase Inhibitors. J. Chem. Inf. Model. 58(9): 1902-1914 (2018) - 2015
- [j24]David J. Diller, Nancy D. Connell, William J. Welsh:
Avalanche for shape and feature-based virtual screening with 3D alignment. J. Comput. Aided Mol. Des. 29(11): 1015-1024 (2015) - 2013
- [j23]Randy J. Zauhar, Eleonora Gianti, William J. Welsh:
Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery. J. Comput. Aided Mol. Des. 27(12): 1009-1036 (2013) - 2011
- [j22]Sandhya Kortagere, Ernest Mui, Rima McLeod, William J. Welsh:
Rapid discovery of inhibitors of Toxoplasma gondii using hybrid structure-based computational approach. J. Comput. Aided Mol. Des. 25(5): 403-411 (2011) - [j21]Iurii Sushko, Sergii Novotarskyi, Robert Körner, Anil Kumar Pandey, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Christof H. Schwab, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Comput. Aided Mol. Des. 25(6): 533-554 (2011) - [j20]Iurii Sushko, Anil Kumar Pandey, Sergii Novotarskyi, Robert Körner, Matthias Rupp, Wolfram Teetz, Stefan Brandmaier, Ahmed Abdelaziz, Volodymyr V. Prokopenko, Vsevolod Yu. Tanchuk, Roberto Todeschini, Alexandre Varnek, Gilles Marcou, Peter Ertl, Vladimir Potemkin, Maria A. Grishina, Johann Gasteiger, Igor I. Baskin, Vladimir A. Palyulin, Eugene V. Radchenko, William J. Welsh, Vladyslav V. Kholodovych, Dmitriy Chekmarev, Artem Cherkasov, João Aires-de-Sousa, Qing-You Zhang, Andreas Bender, Florian Nigsch, Luc Patiny, Antony J. Williams, Valery Tkachenko, Igor V. Tetko:
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. J. Cheminformatics 3(S-1): 20 (2011) - 2010
- [j19]Sandhya Kortagere, William J. Welsh, Joanne M. Morrisey, Thomas Daly, Ijeoma Ejigiri, Photini Sinnis, Akhil B. Vaidya, Lawrence W. Bergman:
Structure-based Design of Novel Small-Molecule Inhibitors of Plasmodium falciparum. J. Chem. Inf. Model. 50(5): 840-849 (2010)
2000 – 2009
- 2009
- [j18]Changsik Kim, Jiwon Choi, Seong Joon Lee, William J. Welsh, Sukjoon Yoon:
NetCSSP: web application for predicting chameleon sequences and amyloid fibril formation. Nucleic Acids Res. 37(Web-Server-Issue): 469-473 (2009) - 2007
- [j17]Sukjoon Yoon, William J. Welsh, Heeyoung Jung, Young Do Yoo:
CSSP2: An improved method for predicting contact-dependent secondary structure propensity. Comput. Biol. Chem. 31(5-6): 373-377 (2007) - 2006
- [j16]Sandhya Kortagere, William J. Welsh:
Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors. J. Comput. Aided Mol. Des. 20(12): 789-802 (2006) - [j15]Adrian D. Haimovich, Bruce Byrne, Ramakrishna Ramaswamy, William J. Welsh:
Wavelet Analysis of DNA Walks. J. Comput. Biol. 13(7): 1289-1298 (2006) - [j14]Elizabeth A. Amin, William J. Welsh:
Highly Predictive CoMFA and CoMSIA Models for Two Series of Stromelysin-1 (MMP-3) Inhibitors Elucidate S1' and S1-S2' Binding Modes. J. Chem. Inf. Model. 46(4): 1775-1783 (2006) - [j13]Elizabeth A. Amin, William J. Welsh:
A Preliminary in Silico Lead Series of 2-Phthalimidinoglutaric Acid Analogues Designed as MMP-3 Inhibitors. J. Chem. Inf. Model. 46(5): 2104-2109 (2006) - 2005
- [j12]Qidong Zhang, Sukjoon Yoon, William J. Welsh:
Improved method for predicting ?-turn using support vector machine. Bioinform. 21(10): 2370-2374 (2005) - [j11]Rebecka Jörnsten, Hui-Yu Wang, William J. Welsh, Ming Ouyang:
DNA microarray data imputation and significance analysis of differential expression. Bioinform. 21(22): 4155-4161 (2005) - [j10]Karthigeyan Nagarajan, Randy J. Zauhar, William J. Welsh:
Enrichment of Ligands for the Serotonin Receptor Using the Shape Signatures Approach. J. Chem. Inf. Model. 45(1): 49-57 (2005) - 2004
- [j9]Ming Ouyang, William J. Welsh, Panos Georgopoulos:
Gaussian mixture clustering and imputation of microarray data. Bioinform. 20(6): 917-923 (2004) - [j8]Sukjoon Yoon, William J. Welsh:
Identification of a Minimal Subset of Receptor Conformations for Improved Multiple Conformation Docking and Two-Step Scoring. J. Chem. Inf. Model. 44(1): 88-96 (2004) - [j7]Jack R. Smith, Doyle Knight, Joachim Kohn, Khaled Rasheed, Norbert Weber, Vladyslav V. Kholodovych, William J. Welsh:
Using Surrogate Modeling in the Prediction of Fibrinogen Adsorption onto Polymer Surfaces. J. Chem. Inf. Model. 44(3): 1088-1097 (2004) - 2003
- [j6]Swati Puri, James S. Chickos, William J. Welsh:
Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpies of Fusion and Their Application to Estimates of Enthalpies of Sublimation and Aqueous Solubilities. J. Chem. Inf. Comput. Sci. 43(1): 55-62 (2003) - [j5]Yiyu Cheng, Minjun Chen, William J. Welsh:
Fractal Fingerprinting of Chromatographic Profiles Based on Wavelet Analysis and Its Application To Characterize the Quality Grade of Medicinal Herbs. J. Chem. Inf. Comput. Sci. 43(6): 1959-1965 (2003) - 2002
- [j4]Swati Puri, James S. Chickos, William J. Welsh:
Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpy of Sublimation. J. Chem. Inf. Comput. Sci. 42(1): 109-116 (2002) - [j3]Swati Puri, James S. Chickos, William J. Welsh:
Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpy of Vaporization. J. Chem. Inf. Comput. Sci. 42(2): 299-304 (2002)
1990 – 1999
- 1998
- [j2]Igor V. Tetko, Alessandro E. P. Villa, Tatyana I. Aksenova, Walter L. Zielinski, James Brower, Elizabeth R. Collantes, William J. Welsh:
Application of a Pruning Algorithm To Optimize Artificial Neural Networks for Pharmaceutical Fingerprinting. J. Chem. Inf. Comput. Sci. 38(4): 660-668 (1998) - [j1]Weida Tong, David R. Lowis, Roger Perkins, Yu Chen, William J. Welsh, Dean W. Goddette, Trevor W. Heritage, Daniel M. Sheehan:
Evaluation of Quantitative Structure-Activity Relationship Methods for Large-Scale Prediction of Chemicals Binding to the Estrogen Receptor. J. Chem. Inf. Comput. Sci. 38(4): 669-677 (1998)
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