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Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach

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Outgoing claims: the papers this work cites, builds on, or argues with.

inferredcites →https://doi.org/10.1002/9780470125793.ch9openalex-snapshot
The Molecular Connectivity Chi Indexes and Kappa Shape Indexes in Structure‐Property Modeling
inferredcites →https://doi.org/10.1002/jps.2600760325openalex-snapshot
Molecular Connectivity in Structure–activity Analysis
inferredcites →https://doi.org/10.1007/bf00123998openalex-snapshot
Enhancing the diversity of a corporate database using chemical database clustering and analysis
inferredcites →https://doi.org/10.1016/0166-218x(88)90004-2openalex-snapshot
Determining structural similarity of chemicals using graph-theoretic indices
inferredcites →https://doi.org/10.1016/0223-5234(91)90019-jopenalex-snapshot
QSAR: Rational approaches to the design of bioactive compounds
inferredcites →https://doi.org/10.1016/s0165-6147(96)90278-3openalex-snapshot
Chemometric methods in molecular design
inferredcites →https://doi.org/10.1021/ci00001a013openalex-snapshot
A comment on nomenclature and the unsaturated bond
inferredcites →https://doi.org/10.1021/ci00007a012openalex-snapshot
Description of several chemical structure file formats used by computer programs developed at Molecular Design Limited
inferredcites →https://doi.org/10.1021/ci00007a013openalex-snapshot
Computer-aided molecular formula determination from mass, proton and carbon-13 NMR spectra
inferredcites →https://doi.org/10.1021/ci00010a010openalex-snapshot
Clustering of chemical structures on the basis of two-dimensional similarity measures
inferredcites →https://doi.org/10.1021/ci00021a011openalex-snapshot
Similarity Searching and Clustering of Chemical-Structure Databases Using Molecular Property Data
inferredcites →https://doi.org/10.1021/ci00023a009openalex-snapshot
Simulation Analysis of Experimental Design Strategies for Screening Random Compounds as Potential New Drugs and Agrochemicals
inferredcites →https://doi.org/10.1021/ci00057a006openalex-snapshot
CHEMTEXT
inferredcites →https://doi.org/10.1021/ci00062a008openalex-snapshot
SMILES. 2. Algorithm for generation of unique SMILES notation
inferredcites →https://doi.org/10.1021/ci00062a009openalex-snapshot
Computer translation of IUPAC systematic organic chemical nomenclature. 1. Introduction and background to a grammar-based approach
inferredcites →https://doi.org/10.1021/ci950168hopenalex-snapshot
Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available Compounds
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/ci960039gopenalex-snapshot
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)

What points at this work

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inferred← citeshttps://doi.org/10.1002/0471238961.0308051322091212.a01openalex-snapshot
Chemoinformatics
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/10.1002/9781118832738.ch12openalex-snapshot
Enumeration and Visualization of Large Combinatorial Chemical Libraries
inferred← citeshttps://doi.org/10.1002/9783527613083.ch4openalex-snapshot
Descriptor‐Based Similarity Measures for Screening Chemical Databases
inferred← citeshttps://doi.org/10.1002/9783527613106.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527613502.ch13openalex-snapshot
Design and Diversity Analysis of Compound Libraries for Lead Discovery
inferred← citeshttps://doi.org/10.1002/9783527619368.ch18openalex-snapshot
Lead Identification by Virtual Screening
inferred← citeshttps://doi.org/10.1002/9783527619375.ch13aopenalex-snapshot
Chemical Informatics
inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
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/chin.199737290openalex-snapshot
ChemInform Abstract: Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property‐Derived (DPD) Approach.
inferred← citeshttps://doi.org/10.1002/jcc.1126openalex-snapshot
Multidimensional scaling of combinatorial libraries without explicit enumeration
inferred← citeshttps://doi.org/10.1002/minf.201600042openalex-snapshot
Building Compound Archives for the Future
inferred← citeshttps://doi.org/10.1002/qsar.200330831openalex-snapshot
Approaches to Measure Chemical Similarity – a Review
inferred← citeshttps://doi.org/10.1002/wcms.33openalex-snapshot
Diversity selection algorithms
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_10openalex-snapshot
The Design of Small- and Medium-sized Focused Combinatorial Libraries
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_2openalex-snapshot
Molecular Diversity in Drug Design. Application to High-speed Synthesis and High-Throughput Screening
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_3openalex-snapshot
Background Theory of Molecular Diversity
inferred← citeshttps://doi.org/10.1007/978-1-4757-3273-3_6openalex-snapshot
Dissimilarity Measures: Introducing a Novel Methodology
inferred← citeshttps://doi.org/10.1007/978-3-0348-7997-2_7openalex-snapshot
Computational approaches towards the quantification of molecular diversity and design of compound libraries
inferred← citeshttps://doi.org/10.1007/978-3-0348-8833-2_1openalex-snapshot
Drug discovery: Past, present and future
inferred← citeshttps://doi.org/10.1007/978-3-540-36213-5_1openalex-snapshot
Application of Evolutionary Algorithms to Combinatorial Library Design
inferred← citeshttps://doi.org/10.1007/bf03380183openalex-snapshot
Partition-based selection
inferred← citeshttps://doi.org/10.1007/s00894-020-04385-6openalex-snapshot
Druggability and drug-likeness concepts in drug design: are biomodelling and predictive tools having their say?
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00085-7openalex-snapshot
Chemoinformatics
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00249-2openalex-snapshot
Compound Selection Using Measures of Similarity and Dissimilarity
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00257-1openalex-snapshot
Library Design: Reactant and Product-Based Approaches
inferred← citeshttps://doi.org/10.1016/b0-08-045044-x/00262-5openalex-snapshot
Virtual Screening
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/j.drudis.2013.02.005openalex-snapshot
Biodiversity of small molecules – a new perspective in screening set selection
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)70046-8openalex-snapshot
3 Combinatorial Chemistry as a Tool for Drug Discovery
inferred← citeshttps://doi.org/10.1016/s0167-5699(99)01461-9openalex-snapshot
New tools for quantifying molecular diversity
inferred← citeshttps://doi.org/10.1016/s0169-7439(99)00010-6openalex-snapshot
Approaches to the design of combinatorial libraries
inferred← citeshttps://doi.org/10.1016/s0958-1669(99)00061-0openalex-snapshot
Extraction of pharmacophore information from high-throughput screens
inferred← citeshttps://doi.org/10.1016/s1093-3263(01)00093-6openalex-snapshot
Combinatorial networks
inferred← citeshttps://doi.org/10.1016/s1093-3263(98)80008-9openalex-snapshot
DISSIM: a program for the analysis of chemical diversity
inferred← citeshttps://doi.org/10.1016/s1359-6446(00)01616-0openalex-snapshot
Library design for NMR-based screening
inferred← citeshttps://doi.org/10.1016/s1359-6446(98)01186-6openalex-snapshot
Approaches to virtual library design
inferred← citeshttps://doi.org/10.1016/s1359-6446(99)01334-3openalex-snapshot
Molecular diversity and its analysis
inferred← citeshttps://doi.org/10.1016/s1359-6446(99)01451-8openalex-snapshot
Computational methods for the prediction of ‘drug-likeness’
inferred← citeshttps://doi.org/10.1016/s1367-5931(98)80012-4openalex-snapshot
Computational methods in molecular diversity and combinatorial chemistry
inferred← citeshttps://doi.org/10.1021/cc000073eopenalex-snapshot
Diverse Viewpoints on Computational Aspects of Molecular Diversity
inferred← citeshttps://doi.org/10.1021/ci0001482openalex-snapshot
Selected Concepts and Investigations in Compound Classification, Molecular Descriptor Analysis, and Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci0003855openalex-snapshot
Where Are the GaPs? A Rational Approach to Monomer Acquisition and Selection
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/ci049870gopenalex-snapshot
Expanded Interaction Fingerprint Method for Analyzing Ligand Binding Modes in Docking and Structure-Based Drug Design
inferred← citeshttps://doi.org/10.1021/ci050087dopenalex-snapshot
Identifying Biologically Active Compound Classes Using Phenotypic Screening Data and Sampling Statistics
inferred← citeshttps://doi.org/10.1021/ci050420dopenalex-snapshot
Knowledge-Based Interaction Fingerprint Scoring: A Simple Method for Improving the Effectiveness of Fast Scoring Functions
inferred← citeshttps://doi.org/10.1021/ci400469uopenalex-snapshot
How Diverse Are Diversity Assessment Methods? A Comparative Analysis and Benchmarking of Molecular Descriptor Space
inferred← citeshttps://doi.org/10.1021/ci400715nopenalex-snapshot
Optimization of Molecular Representativeness
inferred← citeshttps://doi.org/10.1021/ci970437zopenalex-snapshot
On the Properties of Bit String-Based Measures of Chemical Similarity
inferred← citeshttps://doi.org/10.1021/ci980003jopenalex-snapshot
Rational Screening Set Design and Compound Selection: Cascaded Clustering
inferred← citeshttps://doi.org/10.1021/ci9800209openalex-snapshot
Virtual Compound Libraries: A New Approach to Decision Making in Molecular Discovery Research
inferred← citeshttps://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
inferred← citeshttps://doi.org/10.1021/ci9801062openalex-snapshot
Chemistry Space Metrics in Diversity Analysis, Library Design, and Compound Selection
inferred← citeshttps://doi.org/10.1021/ci980180kopenalex-snapshot
Similarity Measures: Is It Possible To Compare Dissimilar Structures?
inferred← citeshttps://doi.org/10.1021/ci9802070openalex-snapshot
Data Structure Comparison Using Box Counting Analysis
inferred← citeshttps://doi.org/10.1021/ci990104xopenalex-snapshot
Reactivity Prediction Models Applied to the Selection of Novel Candidate Building Blocks for High-Throughput Organic Synthesis of Combinatorial Libraries
inferred← citeshttps://doi.org/10.1021/ci990149yopenalex-snapshot
Identification of Groupings of Graph Theoretical Molecular Descriptors Using a Hybrid Cluster Analysis Approach
inferred← citeshttps://doi.org/10.1021/ci990313hopenalex-snapshot
Pharmacophore Fingerprinting. 2. Application to Primary Library Design
inferred← citeshttps://doi.org/10.1021/jm049228dopenalex-snapshot
A General Method for Exploiting QSAR Models in Lead Optimization
inferred← citeshttps://doi.org/10.1021/jm970403iopenalex-snapshot
New Methodology for Profiling Combinatorial Libraries and Screening Sets: Cleaning Up the Design Process with HARPick
inferred← citeshttps://doi.org/10.1021/jm970666copenalex-snapshot
Can We Learn To Distinguish between “Drug-like” and “Nondrug-like” Molecules?
inferred← citeshttps://doi.org/10.1023/a:1008023429373openalex-snapshot
The measurement of molecular diversity by receptor site interaction simulation
inferred← citeshttps://doi.org/10.1023/a:1008108423895openalex-snapshot
A genetic algorithm for the automated generation of small organic molecules: Drug design using an evolutionary algorithm
inferred← citeshttps://doi.org/10.1023/a:1008168228728openalex-snapshot
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors. 2. The relationship between alignment solutions obtained from conformationally rigid and flexible matching
inferred← citeshttps://doi.org/10.1023/a:1011326914800openalex-snapshot
Comments on the design of chemical libraries for screening
inferred← citeshttps://doi.org/10.1023/b:modi.0000006836.76687.8bopenalex-snapshot
Analysis of selection methodologies for combinatorial library design
inferred← citeshttps://doi.org/10.1093/comjnl/45.6.631openalex-snapshot
RASCAL: Calculation of Graph Similarity using Maximum Common Edge Subgraphs
inferred← citeshttps://doi.org/10.1145/340358.340374openalex-snapshot
Progress in computational molecular biology
inferred← citeshttps://doi.org/10.1201/9780203913390.ch20openalex-snapshot
Molecular Descriptors
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/10.1525/9780520958548-004openalex-snapshot
PART ONE. PRINCIPLES
inferred← citeshttps://doi.org/10.1897/01-198openalex-snapshot
Structure-activity relationship approaches and applications
inferred← citeshttps://doi.org/10.2174/1386207318666141229125155openalex-snapshot
New Horizons in Antimalarial Drug Discovery in the Last Decade by Chemoinformatic Approaches
inferred← citeshttps://doi.org/10.2174/1568026023394317openalex-snapshot
Application of High-Throughput, Molecular-Targeted Screening to Anticancer Drug Discovery
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