William J. Welsh

Orcid: 0000-0002-5618-2072

According to our database1, William J. Welsh authored at least 26 papers between 1998 and 2019.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

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Bibliography

2019
Comprehensive 3D-QSAR Model Predicts Binding Affinity of Structurally Diverse Sigma 1 Receptor Ligands.
J. Chem. Inf. Model., 2019

2018
Virtual Screening and Experimental Testing of B1 Metallo-β-lactamase Inhibitors.
J. Chem. Inf. Model., 2018

2015
Avalanche for shape and feature-based virtual screening with 3D alignment.
J. Comput. Aided Mol. Des., 2015

2013
Fragment-based Shape Signatures: a new tool for virtual screening and drug discovery.
J. Comput. Aided Mol. Des., 2013

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

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

Rapid discovery of inhibitors of <i>Toxoplasma gondii</i> using hybrid structure-based computational approach.
J. Comput. Aided Mol. Des., 2011

2010
Structure-based Design of Novel Small-Molecule Inhibitors of Plasmodium falciparum.
J. Chem. Inf. Model., 2010

2009
NetCSSP: web application for predicting chameleon sequences and amyloid fibril formation.
Nucleic Acids Res., 2009

2007
CSSP2: An improved method for predicting contact-dependent secondary structure propensity.
Comput. Biol. Chem., 2007

2006
A Preliminary in Silico Lead Series of 2-Phthalimidinoglutaric Acid Analogues Designed as MMP-3 Inhibitors.
J. Chem. Inf. Model., 2006

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., 2006

Wavelet Analysis of DNA Walks.
J. Comput. Biol., 2006

Development and application of hybrid structure based method for efficient screening of ligands binding to G-protein coupled receptors.
J. Comput. Aided Mol. Des., 2006

2005
Enrichment of Ligands for the Serotonin Receptor Using the <i>Shape Signatures</i> Approach.
J. Chem. Inf. Model., 2005

Improved method for predicting ?-turn using support vector machine.
Bioinform., 2005

DNA microarray data imputation and significance analysis of differential expression.
Bioinform., 2005

2004
Identification of a Minimal Subset of Receptor Conformations for Improved Multiple Conformation Docking and Two-Step Scoring.
J. Chem. Inf. Model., 2004

Using Surrogate Modeling in the Prediction of Fibrinogen Adsorption onto Polymer Surfaces.
J. Chem. Inf. Model., 2004

Gaussian mixture clustering and imputation of microarray data.
Bioinform., 2004

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.
J. Chem. Inf. Comput. Sci., 2003

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., 2003

2002
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., 2002

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., 2002

1998
Evaluation of Quantitative Structure-Activity Relationship Methods for Large-Scale Prediction of Chemicals Binding to the Estrogen Receptor.
J. Chem. Inf. Comput. Sci., 1998

Application of a Pruning Algorithm To Optimize Artificial Neural Networks for Pharmaceutical Fingerprinting.
J. Chem. Inf. Comput. Sci., 1998


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