Valerie J. Gillet
Orcid: 0000-0002-8403-3111Affiliations:
- University of Sheffield, UK
According to our database1,
Valerie J. Gillet
authored at least 66 papers
between 1986 and 2024.
Collaborative distances:
Collaborative distances:
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Bibliography
2024
Interpreting Neural Network Models for Toxicity Prediction by Extracting Learned Chemical Features.
J. Chem. Inf. Model., 2024
2023
An Analysis of Classification Approaches for Hit Song Prediction Using Engineered Metadata Features with Lyrics and Audio Features.
Proceedings of the Information for a Better World: Normality, Virtuality, Physicality, Inclusivity, 2023
2022
Analysis of the benefits of imputation models over traditional QSAR models for toxicity prediction.
J. Cheminformatics, 2022
Proceedings of the Computational Science and Its Applications - ICCSA 2022 Workshops, 2022
2020
Enhancing reaction-based de novo design using a multi-label reaction class recommender.
J. Comput. Aided Mol. Des., 2020
2019
J. Chem. Inf. Model., 2019
Development and Application of a Data-Driven Reaction Classification Model: Comparison of an Electronic Lab Notebook and Medicinal Chemistry Literature.
J. Chem. Inf. Model., 2019
2018
2015
Perspectives on Knowledge Discovery Algorithms Recently Introduced in Chemoinformatics: Rough Set Theory, Association Rule Mining, Emerging Patterns, and Formal Concept Analysis.
J. Chem. Inf. Model., 2015
2014
J. Chem. Inf. Model., 2014
J. Chem. Inf. Model., 2014
2013
J. Cheminformatics, 2013
2012
Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining.
J. Chem. Inf. Model., 2012
Compression of Molecular Interaction Fields Using Wavelet Thumbnails: Application to Molecular Alignment.
J. Chem. Inf. Model., 2012
Development and validation of an improved algorithm for overlaying flexible molecules.
J. Comput. Aided Mol. Des., 2012
2010
Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity.
J. Chem. Inf. Model., 2010
2009
Turbo similarity searching: Effect of fingerprint and dataset on virtual-screening performance.
Stat. Anal. Data Min., 2009
J. Chem. Inf. Model., 2009
J. Chem. Inf. Model., 2009
Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations.
J. Chem. Inf. Model., 2009
Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening.
J. Chem. Inf. Model., 2009
2008
J. Chem. Inf. Model., 2008
Evolving Interpretable Structure-Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple Models.
J. Chem. Inf. Model., 2008
J. Chem. Inf. Model., 2008
2007
Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs.
J. Chem. Inf. Model., 2007
2006
J. Chem. Inf. Model., 2006
J. Chem. Inf. Model., 2006
Introducing the Consensus Modeling Concept in Genetic Algorithms: Application to Interpretable Discriminant Analysis.
J. Chem. Inf. Model., 2006
J. Chem. Inf. Model., 2006
J. Chem. Inf. Model., 2006
J. Comput. Aided Mol. Des., 2006
Inf. Res., 2006
2005
Comparison of Conformational Analysis Techniques To Generate Pharmacophore Hypotheses Using Catalyst.
J. Chem. Inf. Model., 2005
2004
Enhancing the Effectiveness of Virtual Screening by Fusing Nearest Neighbor Lists: A Comparison of Similarity Coefficients.
J. Chem. Inf. Model., 2004
Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques.
J. Comput. Aided Mol. Des., 2004
2003
Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis.
J. Inf. Sci., 2003
J. Chem. Inf. Comput. Sci., 2003
J. Chem. Inf. Comput. Sci., 2003
2002
J. Chem. Inf. Comput. Sci., 2002
J. Comput. Aided Mol. Des., 2002
J. Comput. Aided Mol. Des., 2002
2001
Calculating the knowledge-based similarity of functional groups using crystallographic data.
J. Comput. Aided Mol. Des., 2001
2000
Similarity Searching in Files of Three-Dimensional Chemical Structures: Analysis of the BIOSTER Database Using Two-Dimensional Fingerprints and Molecular Field Descriptors.
J. Chem. Inf. Comput. Sci., 2000
1999
J. Chem. Inf. Comput. Sci., 1999
Proceedings of the Third Annual International Conference on Research in Computational Molecular Biology, 1999
1998
Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms.
J. Chem. Inf. Comput. Sci., 1998
Comput. J., 1998
1997
The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries.
J. Chem. Inf. Comput. Sci., 1997
1995
1994
Evaluation of the screening stages of the Sheffield Research Project on Computer Storage and Retrieval of Generic Chemical Structures in Patents.
J. Chem. Inf. Comput. Sci., 1994
J. Chem. Inf. Comput. Sci., 1994
1993
Computer storage and retrieval of generic chemical structures in patents. 15. Generation of topological fragment descriptors from nontopological representations of generic structure components.
J. Chem. Inf. Comput. Sci., 1993
1992
Computer storage and retrieval of generic chemical structures in patents. 14. Fragment generation from generic structures.
J. Chem. Inf. Comput. Sci., 1992
1991
Computer storage and retrieval of generic chemical structures in patents. 13. Reduced graph generation.
J. Chem. Inf. Comput. Sci., 1991
Computer storage and retrieval of generic chemical structures in patents. 12. Principles of search operations involving parameter lists: matching-relations, user-defined match levels, and transition from the reduced graph search to the refined search.
J. Chem. Inf. Comput. Sci., 1991
Computer storage and retrieval of generic chemical structures in patents. 11. Theoretical aspects of the use of structure languages in a retrieval system.
J. Chem. Inf. Comput. Sci., 1991
1989
Computer storage and retrieval of generic chemical structures in patents. 10. Assignment and logical bubble-up of ring screens for structurally explicit generics.
J. Chem. Inf. Comput. Sci., 1989
Computer storage and retrieval of generic chemical structures in patents. 9. An algorithm to find the extended set of smallest rings in structurally explicit generics.
J. Chem. Inf. Comput. Sci., 1989
Theoretical aspects of ring perception and development of the extended set of smallest rings concept.
J. Chem. Inf. Comput. Sci., 1989
J. Chem. Inf. Comput. Sci., 1989
1988
1987
Computer storage and retrieval of generic chemical structures in patents. 8. Reduced chemical graphs and their applications in generic chemical structure retrieval.
J. Chem. Inf. Comput. Sci., 1987
1986
Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search.
J. Chem. Inf. Comput. Sci., 1986