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Theo Walker

dblp:33/8887 · DBLP profile ↗
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1ranked-venue papers
1as first author
0since 2021 · last 2010
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Applied, interdisciplinary, general and emerging computing · 1 · 1 first-author

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 4 heaviest of 6, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology › molecular informatics
cheminformatics
0.112010
Chembench: a cheminformatics workbench · Bioinform. 2010
Bioinformatics and computational biology › drug discovery
compound prioritization
0.112010
Chembench: a cheminformatics workbench · Bioinform. 2010
Bioinformatics and computational biology › molecular property prediction
quantitative structure-activity relationship modeling
0.112010
Chembench: a cheminformatics workbench · Bioinform. 2010
Bioinformatics and computational biology › drug discovery
virtual screening
0.112010
Chembench: a cheminformatics workbench · Bioinform. 2010

Methods — techniques the papers use, named apart from their topics

predictive model validation · 0.1QSAR modeling · 0.1
YearPublicationVenuePosition
2010 Chembench: a cheminformatics workbench
abstract
MOTIVATION: Advances in the field of cheminformatics have been hindered by a lack of freely available tools. We have created Chembench, a publicly available cheminformatics portal for analyzing experimental chemical structure-activity data. Chembench provides a broad range of tools for data visualization and embeds a rigorous workflow for creating and validating predictive Quantitative Structure-Activity Relationship models and using them for virtual screening of chemical libraries to prioritize the compound selection for drug discovery and/or chemical safety assessment. AVAILABILITY: Freely accessible at: http://chembench.mml.unc.edu CONTACT: [email protected]
Theo Walker, Christopher M. Grulke, Diane Pozefsky, Alexander Tropsha
Bioinform.1