William J. Welsh

26 papers Journal 26
YearRankTypeTitle / Venue / Authors
2019 J jnl
Comprehensive 3D-QSAR Model Predicts Binding Affinity of Structurally Diverse Sigma 1 Receptor Ligands.
J. Chem. Inf. Model.
Youyi Peng, Hiep Dong, William J. Welsh
2018 J jnl
Virtual Screening and Experimental Testing of B1 Metallo-β-lactamase Inhibitors.
J. Chem. Inf. Model.
Joon S. Kang, Antonia L. Zhang, Mohammad Faheem, Charles J. Zhang, Ni Ai, John D. Buynak, William J. Welsh, Peter Oelschlaeger
2015 J jnl
Avalanche for shape and feature-based virtual screening with 3D alignment.
J. Comput. Aided Mol. Des.
David J. Diller, Nancy D. Connell, William J. Welsh
2013 J jnl
Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery.
J. Comput. Aided Mol. Des.
Randy J. Zauhar, Eleonora Gianti, William J. Welsh
2011 J jnl
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des.
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
2011 J jnl
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics
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
2011 J jnl
Rapid discovery of inhibitors of
J. Comput. Aided Mol. Des.
Sandhya Kortagere, Ernest Mui, Rima McLeod, William J. Welsh
2010 J jnl
Structure-based Design of Novel Small-Molecule Inhibitors of Plasmodium falciparum.
J. Chem. Inf. Model.
Sandhya Kortagere, William J. Welsh, Joanne M. Morrisey, Thomas Daly, Ijeoma Ejigiri, Photini Sinnis, Akhil B. Vaidya, Lawrence W. Bergman
2009 J jnl
NetCSSP: web application for predicting chameleon sequences and amyloid fibril formation.
Nucleic Acids Res.
Changsik Kim, Jiwon Choi, Seong Joon Lee, William J. Welsh, Sukjoon Yoon
2007 J jnl
CSSP2: An improved method for predicting contact-dependent secondary structure propensity.
Comput. Biol. Chem.
Sukjoon Yoon, William J. Welsh, Heeyoung Jung, Young Do Yoo
2006 J jnl
A Preliminary in Silico Lead Series of 2-Phthalimidinoglutaric Acid Analogues Designed as MMP-3 Inhibitors.
J. Chem. Inf. Model.
Elizabeth A. Amin, William J. Welsh
2006 J jnl
Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors.
J. Comput. Aided Mol. Des.
Sandhya Kortagere, William J. Welsh
2006 J jnl
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.
Elizabeth A. Amin, William J. Welsh
2006 J jnl
Wavelet Analysis of DNA Walks.
J. Comput. Biol.
Adrian D. Haimovich, Bruce Byrne, Ramakrishna Ramaswamy, William J. Welsh
2005 J jnl
DNA microarray data imputation and significance analysis of differential expression.
Bioinform.
Rebecka Jörnsten, Hui-Yu Wang, William J. Welsh, Ming Ouyang
2005 J jnl
Enrichment of Ligands for the Serotonin Receptor Using the
J. Chem. Inf. Model.
Karthigeyan Nagarajan, Randy J. Zauhar, William J. Welsh
2005 J jnl
Improved method for predicting ?-turn using support vector machine.
Bioinform.
Qidong Zhang, Sukjoon Yoon, William J. Welsh
2004 J jnl
Gaussian mixture clustering and imputation of microarray data.
Bioinform.
Ming Ouyang, William J. Welsh, Panos Georgopoulos
2004 J jnl
Identification of a Minimal Subset of Receptor Conformations for Improved Multiple Conformation Docking and Two-Step Scoring.
J. Chem. Inf. Model.
Sukjoon Yoon, William J. Welsh
2004 J jnl
Using Surrogate Modeling in the Prediction of Fibrinogen Adsorption onto Polymer Surfaces.
J. Chem. Inf. Model.
Jack R. Smith, Doyle Knight, Joachim Kohn, Khaled Rasheed, Norbert Weber, Vladyslav V. Kholodovych, William J. Welsh
2003 J jnl
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.
Yiyu Cheng, Minjun Chen, William J. Welsh
2003 J jnl
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.
Swati Puri, James S. Chickos, William J. Welsh
2002 J jnl
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.
Swati Puri, James S. Chickos, William J. Welsh
2002 J jnl
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.
Swati Puri, James S. Chickos, William J. Welsh
1998 J jnl
Application of a Pruning Algorithm To Optimize Artificial Neural Networks for Pharmaceutical Fingerprinting.
J. Chem. Inf. Comput. Sci.
Igor V. Tetko, Alessandro E. P. Villa, Tatyana I. Aksenova, Walter L. Zielinski, James Brower, Elizabeth R. Collantes, William J. Welsh
1998 J jnl
Evaluation of Quantitative Structure-Activity Relationship Methods for Large-Scale Prediction of Chemicals Binding to the Estrogen Receptor.
J. Chem. Inf. Comput. Sci.
Weida Tong, David R. Lowis, Roger Perkins, Yu Chen, William J. Welsh, Dean W. Goddette, Trevor W. Heritage, Daniel M. Sheehan