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Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/anie.199522801openalex-snapshot
Optimization of the Biological Activity of Combinatorial Compound Libraries by a Genetic Algorithm
inferredcites →https://doi.org/10.1002/anie.199522821openalex-snapshot
Mechanism of the Fe+ Mediated CC and CH Bond Activations in Ethane from a Theoretical Viewpoint
inferredcites →https://doi.org/10.1002/qsar.19950140602openalex-snapshot
A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases
inferredcites →https://doi.org/10.1016/s1093-3263(98)00008-4openalex-snapshot
Comparison of algorithms for dissimilarity-based compound selection
inferredcites →https://doi.org/10.1021/ci00024a021openalex-snapshot
Using a Genetic Algorithm To Suggest Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci960463hopenalex-snapshot
Rapid Quantification of Molecular Diversity for Selective Database Acquisition
inferredcites →https://doi.org/10.1021/ci970060xopenalex-snapshot
DIVSEL and COMPLIB - Strategies for the Design and Comparison of Combinatorial Libraries using Pharmacophoric Descriptors
inferredcites →https://doi.org/10.1021/ci970420gopenalex-snapshot
The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci970431+openalex-snapshot
Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms
inferredcites →https://doi.org/10.1021/jm00378a021openalex-snapshot
Functional group contributions to drug-receptor interactions
inferredcites →https://doi.org/10.1021/jm00378a022openalex-snapshot
3-Substituent effect and 3-methylene substituent effect on the structure-reactivity relationship of 7.beta.-(acylamino)-3-cephem-4-carboxylic acid derivatives studied by carbon-13 and IR spectroscopy
inferredcites →https://doi.org/10.1162/evco.1993.1.2.101openalex-snapshot
A Sequential Niche Technique for Multimodal Function Optimization
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/0471266949.bmc005openalex-snapshot
Combinatorial Library Design, Molecular Similarity, and Diversity Applications
inferred← citeshttps://doi.org/10.1002/9780470125939.ch1openalex-snapshot
Computer‐Aided Molecular Diversity Analysis and Combinatorial Library Design
inferred← citeshttps://doi.org/10.1002/9783527613083.ch2openalex-snapshot
Library Filtering Systems and Prediction of Drug‐Like Properties
inferred← citeshttps://doi.org/10.1002/9783527613083.ch6openalex-snapshot
Database Profiling by Neural Networks
inferred← citeshttps://doi.org/10.1002/9783527613083.ch7openalex-snapshot
Pharmacophore Pattern Application in Virtual Screening. Library Design and QSAR
inferred← citeshttps://doi.org/10.1002/9783527613168.ch7openalex-snapshot
Chemical Structure Handling
inferred← citeshttps://doi.org/10.1002/9783527613168.ch8openalex-snapshot
Molecular Diversity Analysis and Combinatorial Library Design
inferred← citeshttps://doi.org/10.1002/9783527614141.ch07openalex-snapshot
Computer‐Assisted Library Design
inferred← citeshttps://doi.org/10.1002/9783527618279.ch40openalex-snapshot
Evolutionary Algorithms and Their Applications in Chemistry
inferred← citeshttps://doi.org/10.1002/9783527633326.ch1openalex-snapshot
Virtual Screening of Chemical Space: From Generic Compound Collections to Tailored Screening Libraries
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/chin.199921264openalex-snapshot
ChemInform Abstract: Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties.
inferred← citeshttps://doi.org/10.1002/jcc.1146openalex-snapshot
Massive docking of flexible ligands using environmental niches in parallelized genetic algorithms
inferred← citeshttps://doi.org/10.1002/med.10041openalex-snapshot
Selection criteria for drug‐like compounds
inferred← citeshttps://doi.org/10.1002/prot.1070openalex-snapshot
Protein docking using a genetic algorithm
inferred← citeshttps://doi.org/10.1002/qsar.200510120openalex-snapshot
Current Status of Virtual Combinatorial Library Design
inferred← citeshttps://doi.org/10.1002/qsar.200610097openalex-snapshot
Similarity Metrics and Descriptor Spaces – Which Combinations to Choose?
inferred← citeshttps://doi.org/10.1007/0-306-46873-5openalex-snapshot
Molecular Diversity in Drug Design
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_3openalex-snapshot
Background Theory of Molecular Diversity
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_6openalex-snapshot
Subset-Selection Methods For Chemical Databases
inferred← citeshttps://doi.org/10.1007/0-306-46883-2_15openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/0-306-46883-2_2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-0-387-30440-3_133openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-0716-2545-3_1openalex-snapshot
Library Synthesis: Building Block Selection, Handling, and Tracking
inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_15openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_3openalex-snapshot
Molecular Library Design Using Multi-Objective Optimization Methods
inferred← citeshttps://doi.org/10.1007/978-3-0348-7997-2_7openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-319-00272-9_2openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-540-36213-5_1openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/978-3-642-25870-1_16openalex-snapshot
Complexity of Splits Reconstruction for Low-Degree Trees
inferred← citeshttps://doi.org/10.1007/978-981-13-1562-6_14openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11047-004-5237-8openalex-snapshot
Evolutionary Algorithms in Drug Design
inferred← citeshttps://doi.org/10.1007/springerreference_60305openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00249-2openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00256-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00257-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.02568-3openalex-snapshot
Library Design: Reactant and Product-Based Approaches
inferred← citeshttps://doi.org/10.1016/b978-012744481-9/50014-3openalex-snapshot
HIGH-SPEED CHEMISTRY LIBRARIES: ASSESSMENT OF DRUG-LIKENESS
inferred← citeshttps://doi.org/10.1016/j.addr.2015.01.009openalex-snapshot
The application of in silico drug-likeness predictions in pharmaceutical research
inferred← citeshttps://doi.org/10.1016/j.bmcl.2012.05.123openalex-snapshot
CCLab—a multi-objective genetic algorithm based combinatorial library design software and an application for histone deacetylase inhibitor design
inferred← citeshttps://doi.org/10.1016/j.dam.2014.08.005openalex-snapshot
Complexity of splits reconstruction for low-degree trees
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.007openalex-snapshot
Chemical diversity and biological activity
inferred← citeshttps://doi.org/10.1016/s0079-6468(02)41002-8openalex-snapshot
Virtual Screening of Virtual Libraries
inferred← citeshttps://doi.org/10.1016/s0079-6468(08)70058-4openalex-snapshot
Application of High-throughput Screening Techniques to Drug Discovery
inferred← citeshttps://doi.org/10.1016/s0149-6395(01)80004-0openalex-snapshot
Combinatorial chemistry and high-throughput screening in drug discovery and development
inferred← citeshttps://doi.org/10.1016/s0165-7208(02)80014-9openalex-snapshot
Computational methods for the analysis of molecular diversity
inferred← citeshttps://doi.org/10.1016/s0167-5699(99)01478-4openalex-snapshot
Computational screening: large-scale drug discovery
inferred← citeshttps://doi.org/10.1016/s0169-409x(02)00003-0openalex-snapshot
Prediction of ‘drug-likeness’
inferred← citeshttps://doi.org/10.1016/s0958-1669(99)00059-2openalex-snapshot
Chemoinformatics – similarity and diversity in chemical libraries
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00063-2openalex-snapshot
Kolmogorov-Smirnov statistic and its application in library design
inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00150-4openalex-snapshot
Designing focused libraries using MoSELECT
inferred← citeshttps://doi.org/10.1016/s1093-3263(03)00154-2openalex-snapshot
Design of focused and restrained subsets from extremely large virtual libraries
inferred← citeshttps://doi.org/10.1016/s1359-6446(00)01516-6openalex-snapshot
The in silico world of virtual libraries
inferred← citeshttps://doi.org/10.1016/s1359-6446(03)02793-4openalex-snapshot
A fresh look at pharmaceutical screening library design
inferred← citeshttps://doi.org/10.1016/s1367-5931(00)00089-2openalex-snapshot
Optimization of chemical libraries by neural networks
inferred← citeshttps://doi.org/10.1016/s1367-5931(00)00091-0openalex-snapshot
Functional diversity of compound libraries
inferred← citeshttps://doi.org/10.1016/s1367-5931(03)00053-xopenalex-snapshot
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inferred← citeshttps://doi.org/10.1016/s1367-5931(99)80057-xopenalex-snapshot
Chemoinformatics — a new name for an old problem?
inferred← citeshttps://doi.org/10.1021/cc000073eopenalex-snapshot
Diverse Viewpoints on Computational Aspects of Molecular Diversity
inferred← citeshttps://doi.org/10.1021/cc049866hopenalex-snapshot
Focused Combinatorial Library Design Based on Structural Diversity, Druglikeness and Binding Affinity Score
inferred← citeshttps://doi.org/10.1021/ci000026+openalex-snapshot
Drug-like Index: A New Approach To Measure Drug-like Compounds and Their Diversity
inferred← citeshttps://doi.org/10.1021/ci000313dopenalex-snapshot
Design and Prioritization of Plates for High-Throughput Screening
inferred← citeshttps://doi.org/10.1021/ci000389+openalex-snapshot
PLUMS: a Program for the Rapid Optimization of Focused Libraries
inferred← citeshttps://doi.org/10.1021/ci000403iopenalex-snapshot
Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery
inferred← citeshttps://doi.org/10.1021/ci0100393openalex-snapshot
A Novel Frequency Distribution Selection Method for Efficient Plate Layout of a Diverse Combinatorial Library
inferred← citeshttps://doi.org/10.1021/ci010041uopenalex-snapshot
Diversity and Coverage of Structural Sublibraries Selected Using the SAGE and SCA Algorithms
inferred← citeshttps://doi.org/10.1021/ci010072popenalex-snapshot
Computing Wiener-Type Indices for Virtual Combinatorial Libraries Generated from Heteroatom-Containing Building Blocks
inferred← citeshttps://doi.org/10.1021/ci010375jopenalex-snapshot
Combinatorial Library Design Using a Multiobjective Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/ci0255836openalex-snapshot
Optimizing the Size and Configuration of Combinatorial Libraries
inferred← citeshttps://doi.org/10.1021/ci025662hopenalex-snapshot
OptDesign: Extending Optimizable k-Dissimilarity Selection to Combinatorial Library Design
inferred← citeshttps://doi.org/10.1021/ci034006uopenalex-snapshot
Prediction of Aqueous Solubility and Partition Coefficient Optimized by a Genetic Algorithm Based Descriptor Selection Method
inferred← citeshttps://doi.org/10.1021/ci0342324openalex-snapshot
Feature Selection for Descriptor Based Classification Models. 1. Theory and GA-SEC Algorithm
inferred← citeshttps://doi.org/10.1021/ci049787topenalex-snapshot
A Fast Exchange Algorithm for Designing Focused Libraries in Lead Optimization
inferred← citeshttps://doi.org/10.1021/ci0504871openalex-snapshot
GLARE: A New Approach for Filtering Large Reagent Lists in Combinatorial Library Design Using Product Properties
inferred← citeshttps://doi.org/10.1021/ci300402gopenalex-snapshot
Multiobjective Particle Swarm Optimization: Automated Identification of Structure–Activity Relationship-Informative Compounds with Favorable Physicochemical Property Distributions
inferred← citeshttps://doi.org/10.1021/ci500540sopenalex-snapshot
Calculation of Substructural Analysis Weights Using a Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/ci8001205openalex-snapshot
Identification of Hits and Lead Structure Candidates with Limited Resources by Adaptive Optimization
inferred← citeshttps://doi.org/10.1021/ci990109uopenalex-snapshot
Stochastic Similarity Selections from Large Combinatorial Libraries
inferred← citeshttps://doi.org/10.1021/ci990183copenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ci9904259openalex-snapshot
Implementation of a System for Reagent Selection and Library Enumeration, Profiling, and Design
inferred← citeshttps://doi.org/10.1021/ci990429dopenalex-snapshot
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inferred← citeshttps://doi.org/10.1021/ja401184gopenalex-snapshot
Stochastic Voyages into Uncharted Chemical Space Produce a Representative Library of All Possible Drug-Like Compounds
inferred← citeshttps://doi.org/10.1021/jm0582165openalex-snapshot
Searching Techniques for Databases of Two- and Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1023/a:1008756317345openalex-snapshot
Optimization of the drug-likeness of chemical libraries
inferred← citeshttps://doi.org/10.1023/a:1008797526431openalex-snapshot
Evaluation of reactant-based and product-based approaches to the design of combinatorial libraries
inferred← citeshttps://doi.org/10.1023/a:1009637817478openalex-snapshot
Synthesis and diversity analysis of lead discovery piperazine-2-carboxamide libraries
inferred← citeshttps://doi.org/10.1023/a:1020825416871openalex-snapshot
Reactant- and product-based approaches to the design of combinatorial libraries
inferred← citeshttps://doi.org/10.1023/a:1020837112154openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferred← citeshttps://doi.org/10.1023/a:1021320124615openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferred← citeshttps://doi.org/10.1023/a:1021324225524openalex-snapshot
Reactant- and product-based approaches to the design of combinatorial libraries
inferred← citeshttps://doi.org/10.1038/nrd791openalex-snapshot
Combinatorial informatics in the post-genomics era
inferred← citeshttps://doi.org/10.1080/17460441.2021.1867095openalex-snapshot
Multi-objective optimization methods in novel drug design
inferred← citeshttps://doi.org/10.1089/106652799318382openalex-snapshot
Dissimilarity-Based Algorithms for Selecting Structurally Diverse Sets of Compounds
inferred← citeshttps://doi.org/10.1093/bioinformatics/bti314openalex-snapshot
Prediction methods and databases within chemoinformatics: emphasis on drugs and drug candidates
inferred← citeshttps://doi.org/10.1109/cec.2005.1554747openalex-snapshot
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inferred← citeshttps://doi.org/10.1111/cbdd.12155openalex-snapshot
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inferred← citeshttps://doi.org/10.1126/science.1096361openalex-snapshot
The Many Roles of Computation in Drug Discovery
inferred← citeshttps://doi.org/10.1145/1459352.1459353openalex-snapshot
Chemoinformatics—an introduction for computer scientists
inferred← citeshttps://doi.org/10.1145/299432.299510openalex-snapshot
Computational analysis of molecular diversity for drug discovery
inferred← citeshttps://doi.org/10.1147/rd.453.0545openalex-snapshot
Multiobjective optimization of combinatorial libraries
inferred← citeshttps://doi.org/10.1177/01655515030294003openalex-snapshot
Chemoinformatics Research at the University of Sheffield: A History and Citation Analysis
inferred← citeshttps://doi.org/10.1201/9780203913390.ch18openalex-snapshot
Use of 3D Pharmacophore Models in 3D Database Searching
inferred← citeshttps://doi.org/10.1201/9780203913390.ch23openalex-snapshot
Computational Aspects of Library Design and Combinatorial Chemistry
inferred← citeshttps://doi.org/10.1385/1-59259-285-6:277openalex-snapshot
Approaches to Library Design for Combinatorial Chemistry
inferred← citeshttps://doi.org/10.1385/1-59259-285-6:307openalex-snapshot
Designing Combinatorial Libraries for Efficient Screening
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:335openalex-snapshot
Designing Combinatorial Libraries Optimized on Multiple Objectives
inferred← citeshttps://doi.org/10.1504/ijitm.2002.001188openalex-snapshot
Chemoinformatics: a tool for modern drug discovery
inferred← citeshttps://doi.org/10.1517/17460441.2011.588696openalex-snapshot
Strategies of multi-objective optimization in drug discovery and development
inferred← citeshttps://doi.org/10.2174/1386207024607392openalex-snapshot
Scalable Methods for the Construction and Analysis of Virtual Combinatorial Libraries
inferred← citeshttps://doi.org/10.2174/1568026023392869openalex-snapshot
Retrospect and Prospect of Virtual Screening in Drug Discovery
inferred← citeshttps://doi.org/10.34133/hds.0098openalex-snapshot
Current Trends and Challenges in Drug-Likeness Prediction: Are They Generalizable and Interpretable?
inferred← citeshttps://doi.org/10.4103/0250-474x.38464openalex-snapshot
Recent trends in drug-likeness prediction: A comprehensive review of In silico methods
inferred← citeshttps://doi.org/10.5281/zenodo.2555798openalex-snapshot
Molecular Optimization Using Computational Multi-Objective Methods
inferred← citeshttps://doi.org/10.5555/338219.338263openalex-snapshot
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