Application of a Pruning Algorithm To Optimize Artificial Neural Networks for Pharmaceutical Fingerprinting. - Igor V. Tetko; Alessandro E. P. Villa; Tatyana I. Aksenova; Walter L. Zielinski; James Brower; Elizabeth R. Collantes; William J. Welsh (J. Chem. Inf. Comput. Sci., 1998)

Evaluation of Quantitative Structure-Activity Relationship Methods for Large-Scale Prediction of Chemicals Binding to the Estrogen Receptor. - Weida Tong; David R. Lowis; Roger Perkins; Yu Chen; William J. Welsh; Dean W. Goddette; Trevor W. Heritage; Daniel M. Sheehan (J. Chem. Inf. Comput. Sci., 1998)

Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpy of Sublimation. - Swati Puri; James S. Chickos; William J. Welsh (J. Chem. Inf. Comput. Sci., 2002)

Three-Dimensional Quantitative Structure-Property Relationship (3D-QSPR) Models for Prediction of Thermodynamic Properties of Polychlorinated Biphenyls (PCBs): Enthalpy of Vaporization. - Swati Puri; James S. Chickos; William J. Welsh (J. Chem. Inf. Comput. Sci., 2002)

Fractal Fingerprinting of Chromatographic Profiles Based on Wavelet Analysis and Its Application To Characterize the Quality Grade of Medicinal Herbs. - Yiyu Cheng; Minjun Chen; William J. Welsh (J. Chem. Inf. Comput. Sci., 2003)

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. - Swati Puri; James S. Chickos; William J. Welsh (J. Chem. Inf. Comput. Sci., 2003)

Gaussian mixture clustering and imputation of microarray data. - Ming Ouyang; William J. Welsh; Panos Georgopoulos (Bioinform., 2004)

Using Surrogate Modeling in the Prediction of Fibrinogen Adsorption onto Polymer Surfaces. - Jack R. Smith; Doyle Knight; Joachim Kohn; Khaled Rasheed; Norbert Weber; Vladyslav V. Kholodovych; William J. Welsh (J. Chem. Inf. Model., 2004)

Identification of a Minimal Subset of Receptor Conformations for Improved Multiple Conformation Docking and Two-Step Scoring. - Sukjoon Yoon; William J. Welsh (J. Chem. Inf. Model., 2004)

DNA microarray data imputation and significance analysis of differential expression. - Rebecka Jörnsten; Hui-Yu Wang; William J. Welsh; Ming Ouyang (Bioinform., 2005)

Improved method for predicting ?-turn using support vector machine. - Qidong Zhang; Sukjoon Yoon; William J. Welsh (Bioinform., 2005)

Enrichment of Ligands for the Serotonin Receptor Using the Shape Signatures Approach. - Karthigeyan Nagarajan; Randy J. Zauhar; William J. Welsh (J. Chem. Inf. Model., 2005)

Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors. - Sandhya Kortagere; William J. Welsh (J. Comput. Aided Mol. Des., 2006)

Wavelet Analysis of DNA Walks. - Adrian D. Haimovich; Bruce Byrne; Ramakrishna Ramaswamy; William J. Welsh (J. Comput. Biol., 2006)

Highly Predictive CoMFA and CoMSIA Models for Two Series of Stromelysin-1 (MMP-3) Inhibitors Elucidate S1' and S1-S2' Binding Modes. - Elizabeth A. Amin; William J. Welsh (J. Chem. Inf. Model., 2006)

A Preliminary in Silico Lead Series of 2-Phthalimidinoglutaric Acid Analogues Designed as MMP-3 Inhibitors. - Elizabeth A. Amin; William J. Welsh (J. Chem. Inf. Model., 2006)

CSSP2: An improved method for predicting contact-dependent secondary structure propensity. - Sukjoon Yoon; William J. Welsh; Heeyoung Jung; Young Do Yoo (Comput. Biol. Chem., 2007)

NetCSSP: web application for predicting chameleon sequences and amyloid fibril formation. - Changsik Kim; Jiwon Choi; Seong Joon Lee; William J. Welsh; Sukjoon Yoon (Nucleic Acids Res., 2009)

Structure-based Design of Novel Small-Molecule Inhibitors of Plasmodium falciparum. - Sandhya Kortagere; William J. Welsh; Joanne M. Morrisey; Thomas Daly; Ijeoma Ejigiri; Photini Sinnis; Akhil B. Vaidya; Lawrence W. Bergman (J. Chem. Inf. Model., 2010)

Rapid discovery of inhibitors of Toxoplasma gondii using hybrid structure-based computational approach. - Sandhya Kortagere; Ernest Mui; Rima McLeod; William J. Welsh (J. Comput. Aided Mol. Des., 2011)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. - 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; et al. (J. Comput. Aided Mol. Des., 2011)

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. - 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; et al. (J. Cheminformatics, 2011)

Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery. - Randy J. Zauhar; Eleonora Gianti; William J. Welsh (J. Comput. Aided Mol. Des., 2013)

Avalanche for shape and feature-based virtual screening with 3D alignment. - David J. Diller; Nancy D. Connell; William J. Welsh (J. Comput. Aided Mol. Des., 2015)

Virtual Screening and Experimental Testing of B1 Metallo-β-lactamase Inhibitors. - Joon S. Kang; Antonia L. Zhang; Mohammad Faheem; Charles J. Zhang; Ni Ai; John D. Buynak; William J. Welsh; Peter Oelschlaeger (J. Chem. Inf. Model., 2018)

Comprehensive 3D-QSAR Model Predicts Binding Affinity of Structurally Diverse Sigma 1 Receptor Ligands. - Youyi Peng; Hiep Dong; William J. Welsh (J. Chem. Inf. Model., 2019)