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Descriptors for diversity analysis

https://doi.org/10.1007/bf03380180
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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/qsar.19960150402openalex-snapshot
Parameter Based Methods for Compound Selection from Chemical Databases
inferredcites →https://doi.org/10.1007/978-94-011-3198-8_8openalex-snapshot
The Use of Similarity and Clustering Techniques for the Prediction of Molecular Properties
inferredcites →https://doi.org/10.1007/b98963openalex-snapshot
Applied Multivariate 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/10.1007/bf00134174openalex-snapshot
The measurement of molecular diversity: A three-dimensional approach
inferredcites →https://doi.org/10.1007/bf00141577openalex-snapshot
A fast new approach to pharmacophore mapping and its application to dopaminergic and benzodiazepine agonists
inferredcites →https://doi.org/10.1007/bf01718702openalex-snapshot
Optimization and visualization of molecular diversity of combinatorial libraries
inferredcites →https://doi.org/10.1016/1074-5521(95)90283-xopenalex-snapshot
Predicting ligand binding to proteins by affinity fingerprinting
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/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
inferredcites →https://doi.org/10.1021/ci00054a008openalex-snapshot
Topological torsion: a new molecular descriptor for SAR applications. Comparison with other descriptors
inferredcites →https://doi.org/10.1021/ci00064a005openalex-snapshot
3DSEARCH: a system for three-dimensional substructure searching
inferredcites →https://doi.org/10.1021/ci9500851openalex-snapshot
Similarity Searching in Files of Three-Dimensional Chemical Structures. Alignment of Molecular Electrostatic Potential Fields with a Genetic Algorithm
inferredcites →https://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
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/ci950275bopenalex-snapshot
Chemical Similarity Using Geometric Atom Pair Descriptors
inferredcites →https://doi.org/10.1021/ci960039gopenalex-snapshot
Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)
inferredcites →https://doi.org/10.1021/ci960091copenalex-snapshot
Techniques for Generating Descriptive Fingerprints in Combinatorial Libraries
inferredcites →https://doi.org/10.1021/ci960373copenalex-snapshot
The Information Content of 2D and 3D Structural Descriptors Relevant to Ligand-Receptor Binding
inferredcites →https://doi.org/10.1021/ci9604605openalex-snapshot
Four Association Coefficients for Relating Molecular Similarity Measures
inferredcites →https://doi.org/10.1021/jm00009a003openalex-snapshot
Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1021/jm950800yopenalex-snapshot
Molecular Similarity Based on DOCK-Generated Fingerprints
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/10.1108/07419050410546347openalex-snapshot
American Chemical Society National Meeting

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/10.1002/0471433519.ch1openalex-snapshot
Clustering Methods and Their Uses in Computational Chemistry
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.ch4openalex-snapshot
Descriptor‐Based Similarity Measures for Screening Chemical Databases
inferred← citeshttps://doi.org/10.1002/9783527613083.ch7openalex-snapshot
Pharmacophore Pattern Application in Virtual Screening. Library Design and QSAR
inferred← citeshttps://doi.org/10.1002/9783527613106.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/10.1002/9783527614141.ch07openalex-snapshot
Computer‐Assisted Library Design
inferred← citeshttps://doi.org/10.1002/qsar.200290002openalex-snapshot
Identification of Diverse Database Subsets using Property‐Based and Fragment‐Based Molecular Descriptions
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_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/10.1007/978-3-0348-7997-2_7openalex-snapshot
Computational approaches towards the quantification of molecular diversity and design of compound libraries
inferred← citeshttps://doi.org/10.1007/978-3-540-36213-5_1openalex-snapshot
Application of Evolutionary Algorithms to Combinatorial Library Design
inferred← citeshttps://doi.org/10.1007/978-3-642-36543-0_33openalex-snapshot
LINGO-DOSM: LINGO for Descriptors of Outline Shape of Molecules
inferred← citeshttps://doi.org/10.1007/bf03380186openalex-snapshot
Challenges and prospects for computational aids to molecular diversity
inferred← citeshttps://doi.org/10.1007/s11030-006-8697-1openalex-snapshot
Molecular similarity and diversity in chemoinformatics: From theory to applications
inferred← citeshttps://doi.org/10.1016/j.ailsci.2024.100117openalex-snapshot
Rethinking the 'best method' paradigm: The effectiveness of hybrid and multidisciplinary approaches in chemoinformatics
inferred← citeshttps://doi.org/10.1016/j.comtox.2019.100110openalex-snapshot
Chemical similarity to identify potential Substances of Very High Concern – An effective screening method
inferred← citeshttps://doi.org/10.1016/j.jtbi.2012.10.029openalex-snapshot
Characterization of structure–antioxidant activity relationship of peptides in free radical systems using QSAR models: Key sequence positions and their amino acid properties
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/s0958-1669(99)00061-0openalex-snapshot
Extraction of pharmacophore information from high-throughput screens
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00071-1openalex-snapshot
Novel algorithms for the optimization of molecular diversity of combinatorial libraries
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)80095-9openalex-snapshot
Novel algorithms for the optimization of molecular diversity of combinatorial libraries
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/s1093-3263(99)00016-9openalex-snapshot
Binning schemes for partition-based compound selection
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(02)02433-9openalex-snapshot
Discovery informatics: its evolving role in drug discovery
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
Reagent-based and product-based computational approaches in library design
inferred← citeshttps://doi.org/10.1021/ci0496797openalex-snapshot
LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities
inferred← citeshttps://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
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/ci990183copenalex-snapshot
Combinatorial Library Design: Maximizing Model-Fitting Compounds within Matrix Synthesis Constraints
inferred← citeshttps://doi.org/10.1021/ci990313hopenalex-snapshot
Pharmacophore Fingerprinting. 2. Application to Primary Library Design
inferred← citeshttps://doi.org/10.1023/a:1011326914800openalex-snapshot
Comments on the design of chemical libraries for screening
inferred← citeshttps://doi.org/10.1080/1062936x.2025.2480859openalex-snapshot
Computational design of PARP-1 inhibitors: QSAR, molecular docking, virtual screening, ADMET, and molecular dynamics simulations for targeted drug development
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/btl259openalex-snapshot
Distance based algorithms for small biomolecule classification and structural similarity search
inferred← citeshttps://doi.org/10.1145/1294301.1294307openalex-snapshot
Novel approaches for small biomolecule classification and structural similarity search
inferred← citeshttps://doi.org/10.1145/299432.299510openalex-snapshot
Computational analysis of molecular diversity for drug discovery
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:051openalex-snapshot
Evaluation of Molecular Similarity and Molecular Diversity Methods Using Biological Activity Data
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/10.3929/ethz-a-004447026openalex-snapshot
Development and application of new methods for the virtual screening of chemical databases
inferred← citeshttps://doi.org/10.4028/www.scientific.net/amr.365.169openalex-snapshot
Quantitative Structure-Activity Relationship Study of Radical Scavenging Peptides Based on Orac Method by Using Different Sets of Amino Acids Descriptor
inferred← citeshttps://doi.org/10.70675/c62edcc5z1d13z49e5zb18ez2a51ea905a5copenalex-snapshot
Simulation numérique et approche orientée connaissance pour la découverte de nouvelles molécules thérapeutiques
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