10 results on '"Valerie J. Gillet"'
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2. Lead Optimization Using Matched Molecular Pairs: Inclusion of Contextual Information for Enhanced Prediction of hERG Inhibition, Solubility, and Lipophilicity.
3. Multiobjective Optimization of Pharmacophore Hypotheses: Bias Toward Low-Energy Conformations.
4. Use of Reduced Graphs To Encode Bioisosterism for Similarity-Based Virtual Screening.
5. Knowledge-Based Approach to de NovoDesign Using Reaction Vectors.
6. Analysis of Neighborhood Behavior in Lead Optimization and Array Design.
7. Evolving Interpretable Structure−Activity Relationships. 1. Reduced Graph Queries.
8. Evolving Interpretable Structure−Activity Relationship Models. 2. Using Multiobjective Optimization To Derive Multiple Models.
9. A Comparison of Field-Based Similarity Searching Methods: CatShape, FBSS, and ROCS.
10. Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs.
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