William J. Welsh

Publication Activity (10 Years)

Years Active: 1998-2019
Publications (10 Years): 2

Top Topics

Data Mining Tools

Virtual Screening

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

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) (2019)
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) (2018)
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) (2015)
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) (2013)
Sandhya Kortagere, Ernest Mui, Rima McLeod, William J. Welsh
using hybrid structure-based computational approach. J. Comput. Aided Mol. Des. 25 (5) (2011)
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 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) (2011)
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 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) (2011)
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) (2010)
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) (2009)
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) (2007)
Adrian D. Haimovich, Bruce Byrne, Ramakrishna Ramaswamy, William J. Welsh
Wavelet Analysis of DNA Walks. J. Comput. Biol. 13 (7) (2006)
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) (2006)
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) (2006)
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) (2006)
Qidong Zhang, Sukjoon Yoon, William J. Welsh
Improved method for predicting ?-turn using support vector machine. Bioinform. 21 (10) (2005)
Rebecka Jörnsten, Hui-Yu Wang, William J. Welsh, Ming Ouyang
DNA microarray data imputation and significance analysis of differential expression. Bioinform. 21 (22) (2005)
Karthigeyan Nagarajan, Randy J. Zauhar, William J. Welsh
Approach. J. Chem. Inf. Model. 45 (1) (2005)
Ming Ouyang, William J. Welsh, Panos Georgopoulos
Gaussian mixture clustering and imputation of microarray data. Bioinform. 20 (6) (2004)
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) (2004)
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) (2004)
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) (2003)
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) (2003)
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) (2002)
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) (2002)
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) (1998)
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) (1998)