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Collaboration-Based Function Prediction in Protein-Protein Interaction Networks
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Preface
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Computational Approaches in Cheminformatics and Bioinformatics
– Computational Approaches in Cheminformatics and Bioinformatics
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Computational Approaches in Cheminformatics and Bioinformatics
– Computational Approaches in Cheminformatics and Bioinformatics
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How similar are those molecules after all? Use two descriptors and you will have three different answers.
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Nonsubjective clustering scheme for multiconformer databases
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Scaffold diversity analysis using scaffold retrieval curves and an entropy-based measure
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Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble
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A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization.
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Prospective validation of a comprehensive in silico hERG model and its applications to commercial compound and drug databases.
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DATABASES Compound bioactivities go public
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Mining protein dynamics from sets of crystal structures using “consensus structures”
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Metabolite identification pipeline based on MS fragmentation
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Knowledge-based and computational approaches to in vitro safety pharmacology
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Predicting the functions of proteins in Protein-Protein Interaction networks from global information
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Scaffold Diversity Analysis of Compound Daft Sets Using an Entropy-Based Measure
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