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New Methodology for Profiling Combinatorial Libraries and Screening Sets: Cleaning Up the Design Process with HARPick
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Reviews in Computational Chemistry
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A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases
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Molecular Similarity in Drug Design
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Simulated Annealing: Theory and Applications
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Optimization and visualization of molecular diversity of combinatorial libraries
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A Practical Guide to combinatorial Chemistry
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Using a Genetic Algorithm To Suggest Combinatorial Libraries
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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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Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)
inferredcites →https://doi.org/10.1021/ci960471yopenalex-snapshot
Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach
inferredcites →https://doi.org/10.1021/ci970420gopenalex-snapshot
The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries
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Synthesis and biological activity of luteinizing hormone-releasing hormone and related peptides
inferredcites →https://doi.org/10.1021/jm960290nopenalex-snapshot
Neighborhood Behavior: A Useful Concept for Validation of “Molecular Diversity” Descriptors
inferredcites →https://doi.org/10.1021/jm960291fopenalex-snapshot
Bioisosterism as a Molecular Diversity Descriptor: Steric Fields of Single “Topomeric” Conformers
inferredcites →https://doi.org/10.1126/science.220.4598.671openalex-snapshot
Optimization by Simulated Annealing
inferredcites →https://doi.org/10.1126/science.6403986openalex-snapshot
Bone Cell Differentiation and Growth Factors
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Combinatorial Library Design, Molecular Similarity, and Diversity Applications
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Modelling Structure‐Activity Relationships
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Pharmacophore Pattern Application in Virtual Screening. Library Design and QSAR
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Molecular Diversity Analysis and Combinatorial Library Design
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Design and Diversity Analysis of Compound Libraries for Lead Discovery
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Similarity‐based data mining in files of two‐dimensional chemical structures using fingerprint measures of molecular resemblance
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The Design of Small- and Medium-sized Focused Combinatorial Libraries
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Molecular Diversity in Drug Design. Application to High-speed Synthesis and High-Throughput Screening
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Background Theory of Molecular Diversity
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Diversity in Very Large Libraries
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Subset-Selection Methods For Chemical Databases
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Descriptors you can count on? Normalized and filtered pharmacophore descriptors for virtual screening
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Compound Selection Using Measures of Similarity and Dissimilarity
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Library Design: Ligand and Structure-Based Principles for Parallel and Combinatorial Libraries
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Library Design: Reactant and Product-Based Approaches
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3 Combinatorial Chemistry as a Tool for Drug Discovery
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inferred← citeshttps://doi.org/10.1016/s0958-1669(99)00059-2openalex-snapshot
Chemoinformatics – similarity and diversity in chemical libraries
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Application of Non-Parametric Regression to Quantitative Structure–Activity Relationships
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Applications of random sampling to virtual screening of combinatorial libraries
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Oriented substituent pharmacophore PRopErtY space (OSPPREYS): a substituent-based calculation that describes combinatorial library products better than the corresponding product-based calculation
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Use of Markush structure analysis techniques for descriptor generation and clustering of large combinatorial libraries
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Library design using BCUT chemistry-space descriptors and multiple four-point pharmacophore fingerprints: simultaneous optimization and structure-based diversity
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High-throughput and virtual screening: core lead discovery technologies move towards integration
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High-throughput and virtual screening: core lead discovery technologies move towards integration
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Statistical design and application to combinatorial chemistry
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A fresh look at pharmaceutical screening library design
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Approaches to virtual library design
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Evolutionary combinatorial chemistry: application of genetic algorithms
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Functional diversity of compound libraries
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Chapter 1 Introduction, Basic Concepts and Strategies
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Comment on The Ecstasy and Agony of Assay Interference Compounds
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Design and Prioritization of Plates for High-Throughput Screening
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Computing Wiener-Type Indices for Virtual Combinatorial Libraries Generated from Heteroatom-Containing Building Blocks
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Combinatorial Library Design Using a Multiobjective Genetic Algorithm
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Efficient Generation, Storage, and Manipulation of Fully Flexible Pharmacophore Multiplets and Their Use in 3-D Similarity Searching
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Searching for Substructures in Fragment Spaces
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Searching for Recursively Defined Generic Chemical Patterns in Nonenumerated Fragment Spaces
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GARLig: A Fully Automated Tool for Subset Selection of Large Fragment Spaces via a Self-Adaptive Genetic Algorithm
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Three-Dimensional Pharmacophore Methods in Drug Discovery
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Reactant- and product-based approaches to the design of combinatorial libraries
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Multiobjective optimization of combinatorial libraries
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Multiobjective optimization of combinatorial libraries
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Reactant- and product-based approaches to the design of combinatorial libraries
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Analysis of selection methodologies for combinatorial library design
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Dissimilarity-Based Algorithms for Selecting Structurally Diverse Sets of Compounds
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Multiobjective optimization of combinatorial libraries
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Computer Aided Drug Design
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Computational Aspects of Library Design and Combinatorial Chemistry
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Approaches to Library Design for Combinatorial Chemistry
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Designing Combinatorial Libraries for Efficient Screening
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The Price is Right: Predicting Reagent Prices
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The Price is Right: Predicting Reagent Prices
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