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Optimizing the Size and Configuration of 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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Evolutionary Algorithms for Solving Multi-Objective Problems
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s1093-3263(01)00150-4openalex-snapshot
Designing focused libraries using MoSELECT
inferredcites →https://doi.org/10.1016/s1359-6446(00)01517-8openalex-snapshot
Diversity screening versus focussed screening in drug discovery
inferredcites →https://doi.org/10.1021/cc9800024openalex-snapshot
Beyond Mere Diversity: Tailoring Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/ci010366aopenalex-snapshot
Is There a Difference between Leads and Drugs? A Historical Perspective
inferredcites →https://doi.org/10.1021/ci010375jopenalex-snapshot
Combinatorial Library Design Using a Multiobjective Genetic Algorithm
inferredcites →https://doi.org/10.1021/ci970438ropenalex-snapshot
Superposition of Three-Dimensional Chemical Structures Allowing for Conformational Flexibility by a Hybrid Method
inferredcites →https://doi.org/10.1021/ci980332bopenalex-snapshot
Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties
inferredcites →https://doi.org/10.1021/ci990261wopenalex-snapshot
Enhancing the Hit-to-Lead Properties of Lead Optimization Libraries
inferredcites →https://doi.org/10.1021/jm020919oopenalex-snapshot
Multiobjective Optimization in Quantitative Structure−Activity Relationships: Deriving Accurate and Interpretable QSARs
inferredcites →https://doi.org/10.1142/9789814447331_0056openalex-snapshot
PICCOLO: A TOOL FOR COMBINATORIAL LIBRARY DESIGN VIA MULTICRITERION OPTIMIZATION
inferredcites →https://doi.org/10.1162/evco.1995.3.1.1openalex-snapshot
An Overview of Evolutionary Algorithms in Multiobjective Optimization
inferredcites →https://doi.org/10.5860/choice.27-0936openalex-snapshot
Genetic algorithms in search, optimization, and machine learning

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Compound Selection
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High‐Throughput Screening in Agrochemical Research
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Optimizing the Size and Configuration of Combinatorial Libraries.
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A novel hybrid method named electron conformational genetic algorithm as a 4D QSAR investigation to calculate the biological activity of the tetrahydrodibenzazosines
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Current Status of Virtual Combinatorial Library Design
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Diversity selection algorithms
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Molecular Library Design Using Multi-Objective Optimization Methods
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Generation of multiple pharmacophore hypotheses using multiobjective optimisation techniques
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A novel workflow for the inverse QSPR problem using multiobjective optimization
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Library Design: Reactant and Product-Based Approaches
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Multiobjective/Multicriteria Optimization and Decision Support in Drug Discovery
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Library Design: Reactant and Product-Based Approaches
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Screening Library Design
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CCLab—a multi-objective genetic algorithm based combinatorial library design software and an application for histone deacetylase inhibitor design
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Applying data mining techniques to library design, lead generation and lead optimization
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Integrating cheminformatic analysis in combinatorial chemistry
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New directions in library design and analysis
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A multi-library approach to parallelised sequence space exploration: Streamlining library design and search space coverage
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Evolving molecules using multi-objective optimization: applying to ADME/Tox
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A fresh look at pharmaceutical screening library design
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Capter 11 Filtering in Drug Discovery
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A Graph-Based Genetic Algorithm and Its Application to the Multiobjective Evolution of Median Molecules
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Multiobjective Particle Swarm Optimization: Automated Identification of Structure–Activity Relationship-Informative Compounds with Favorable Physicochemical Property Distributions
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A General Method for Exploiting QSAR Models in Lead Optimization
inferred← citeshttps://doi.org/10.1021/jm050063yopenalex-snapshot
Design of Small-Sized Libraries by Combinatorial Assembly of Linkers and Functional Groups to a Given Scaffold: Application to the Structure-Based Optimization of a Phosphodiesterase 4 Inhibitor
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Knowledge-Based Design of Target-Focused Libraries Using Protein−Ligand Interaction Constraints
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Analysis of selection methodologies for combinatorial library design
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Computer-based de novo design of drug-like molecules
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Compound Library Design – Principles and Applications
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Drug Discovery: Exploring the Utility of Cluster Oriented Genetic Algorithms in Virtual Library Design
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A Visual Analytics Model Applied to Lead Generation Library Design in Drug Discovery
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An effective docking strategy for virtual screening based on multi-objective optimization algorithm
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Algorithm-supported, mass and sequence diversity-oriented random peptide library design
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基于药物数据报道数据库的虚拟组合片段库构建
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Strategies of multi-objective optimization in drug discovery and development
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High Throughput Screening in Agrochemical Research
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Bottom-Up Design Approach for OBOC Peptide Libraries
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Molecular Optimization Using Computational Multi-Objective Methods
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