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Journal of Chemical Information and Modeling|April 30, 2024
Interpreting Neural Network Models for Toxicity Prediction by Extracting Learned Chemical FeaturesMoritz Walter, Samuel J Webb, Valerie J Gillet
Journal of Cheminformatics|June 7, 2022
Analysis of the benefits of imputation models over traditional QSAR models for toxicity predictionMoritz Walter, Luke N Allen, Antonio de la Vega de León, et al.
Journal of Chemical Information and Modeling|May 31, 2014
Emerging pattern mining to aid toxicological knowledge discoveryRichard Sherhod, Philip N Judson, Thierry Hanser, et al.
Current Opinion in Chemical Biology|March 12, 2008
New directions in library design and analysisValerie J Gillet
Methods in Molecular Biology (Clifton, N.J.)|May 14, 2004
Designing combinatorial libraries optimized on multiple objectivesValerie J Gillet
Methods in Molecular Biology (Clifton, N.J.)|September 15, 2010
Reduced graphs and their applications in chemoinformaticsKristian Birchall, Valerie J Gillet
Journal of Chemical Information and Computer Sciences|March 26, 2003
Similarity searching using reduced graphsValerie J Gillet, Peter Willett, John Bradshaw
Molecular Informatics|August 5, 2016
Chemoinformatics at the University of Sheffield 2002-2014Valerie J Gillet, John D Holliday, Peter Willett
Journal of Computer-Aided Molecular Design|January 5, 2007
Incorporating partial matches within multi-objective pharmacophore identificationSimon J Cottrell, Valerie J Gillet, Robin Taylor
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