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Techniques for Generating Descriptive Fingerprints in Combinatorial Libraries
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Computer representation and handling of structures: retrospect and prospect
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Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
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Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
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Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets
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The Sheffield Generic Structures Projecta Retrospective Review
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Diversity of Chemical Libraries
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ChemInform Abstract: Techniques for Generating Descriptive Fingerprints in Combinatorial Libraries
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Conformational analysis by intersection: CONAN
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Representation of chemical structures
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Molecular Diversity in Drug Design
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The Design of Small- and Medium-sized Focused Combinatorial Libraries
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Background Theory of Molecular Diversity
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Advances in diversity profiling and combinatorial series design
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Challenges and prospects for computational aids to molecular diversity
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Drug discovery using very large numbers of patents. General strategy with extensive use of match and edit operations
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Chem-bioinformatic approach for drug discovery
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Computational methods for the analysis of molecular diversity
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Chemoinformatics – similarity and diversity in chemical libraries
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Design of focused and restrained subsets from extremely large virtual libraries
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The in silico world of virtual libraries
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Automated Recycling of Chemistry for Virtual Screening and Library Design
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Efficient Exploration of Large Combinatorial Chemistry Spaces by Monomer-Based Similarity Searching
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Molecular Structure Disassembly Program (MOSDAP): A Chemical Information Model To Automate Structure-Based Physical Property Estimation
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Kinase Patent Space Visualization Using Chemical Replacements
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Similarity searching in large combinatorial chemistry spaces
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Combinatorial informatics in the post-genomics era
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From chemical documentation to chemoinformatics: 50 years of chemical information science
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Scalable Methods for the Construction and Analysis of Virtual Combinatorial Libraries
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Retrospect and Prospect of Virtual Screening in Drug Discovery
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Molecular Similarity: Theory, Applications, and Perspectives
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Automated Molecular Library Generation of Proteic Fragments by Virtual Proteolysis for Molecular Modelling Studies
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The Concept of Novel Compositions of Matter: A Theoretical Analysis
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The Concept of Novel Compositions of Matter: A Theoretical Analysis
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