On the public citation graph
Rapid Quantification of Molecular Diversity for Selective Database Acquisition
0 signed · 115 inferred · view as graph
Inferred edges come from two machine sources: sweeps of open repository metadata (mostly SSRN and Zenodo), and a bulk OpenAlex citation snapshot. Every row below is labelled with the one it came from. Neither is a complete citation index — absence here is not evidence of absence.
Is this your work? Sign in with ORCID and put your name on the
claims that are yours.
Reference health. See whether every reference in this work resolves to a
known work and none has been retracted — and get a dated CiteStamped
badge you can embed.
What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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/10.1007/bf00123998openalex-snapshot
Enhancing the diversity of a corporate database using chemical database clustering and analysis
inferredcites →https://doi.org/10.1007/bf00123999openalex-snapshot
Characterising the geometric diversity of functional groups in chemical databases
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(87)90020-1openalex-snapshot
Similarity and clustering in chemical information systems
inferredcites →https://doi.org/10.1016/0306-4573(86)90097-xopenalex-snapshot
Implementing agglomerative hierarchic clustering algorithms for use in document retrieval
inferredcites →https://doi.org/10.1016/1359-6446(96)89091-xopenalex-snapshot
New perspectives in lead generation II: Evaluating molecular diversity
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/ci00011a012openalex-snapshot
New method for rapid characterization of molecular shapes: applications in drug design
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/ci9501150openalex-snapshot
On Highly Discriminating Molecular Topological Index
inferredcites →https://doi.org/10.1021/ci950274jopenalex-snapshot
Chemical Similarity Using Physiochemical Property Descriptors
inferredcites →https://doi.org/10.1021/jm00009a003openalex-snapshot
Measuring Diversity: Experimental Design of Combinatorial Libraries for Drug Discovery
inferredcites →https://doi.org/10.1080/10629369508050153openalex-snapshot
Tolerance Space and Molecular Similarity
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/(sici)1097-461x(1998)69:1<65::aid-qua9>3.0.co;2-vopenalex-snapshot
Rational design of a targeted combinatorial chemical library with opiatelike activity
inferred← citeshttps://doi.org/10.1002/0470845015.cma020fopenalex-snapshot
Diversity of Chemical Libraries
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.ch12openalex-snapshot
The Measurement of Molecular Diversity
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/minf.201400056openalex-snapshot
Development of a New De Novo Design Algorithm for Exploring Chemical Space
inferred← citeshttps://doi.org/10.1002/minf.201600153openalex-snapshot
Predicting the Enzymatic Hydrolysis Half‐lives of New Chemicals Using Support Vector Regression Models Based on Stepwise Feature Elimination
inferred← citeshttps://doi.org/10.1007/0-306-46858-1_1openalex-snapshot
3D QSAR: Current State, Scope, and Limitations
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/10.1007/978-1-4757-3273-3_4openalex-snapshot
Similarity Searching In Chemical Databases Using Molecular Fields And Data Fusion
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_9openalex-snapshot
Fragment Descriptors in Structure–Property Modeling and Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-1-60761-931-4_7openalex-snapshot
Combinatorial Library Design from Reagent Pharmacophore Fingerprints
inferred← citeshttps://doi.org/10.1007/978-3-319-56850-8_6openalex-snapshot
Generative Topographic Mapping Approach to Chemical Space Analysis
inferred← citeshttps://doi.org/10.1007/978-94-017-0735-0_9openalex-snapshot
Advances in diversity profiling and combinatorial series design
inferred← citeshttps://doi.org/10.1007/bf03380178openalex-snapshot
Computational tools for the analysis of molecular diversity
inferred← citeshttps://doi.org/10.1007/bf03380179openalex-snapshot
Computer representation and manipulation of combinatorial libraries
inferred← citeshttps://doi.org/10.1007/bf03380184openalex-snapshot
Commercial software systems for diversity analysis
inferred← citeshttps://doi.org/10.1007/s10822-009-9302-3openalex-snapshot
Computation of 3D queries for ROCS based virtual screens
inferred← citeshttps://doi.org/10.1007/s11030-017-9747-6openalex-snapshot
Identification of potential trypanothione reductase inhibitors among commercially available $$\upbeta $$ β -carboline derivatives using chemical space, lead-like and drug-like filters, pharmacophore models and molecular docking
inferred← citeshttps://doi.org/10.1016/b978-0-12-409547-2.12345-5openalex-snapshot
Chemical Data Formats, Fingerprints, and Other Molecular Descriptions for Database Analysis and Searching
inferred← citeshttps://doi.org/10.1016/c2014-1-02188-6openalex-snapshot
Comprehensive Medicinal Chemistry III
inferred← citeshttps://doi.org/10.1016/j.drudis.2011.04.005openalex-snapshot
Rendezvous in chemical space? Comparing the small molecule compound libraries of Bayer and Schering
inferred← citeshttps://doi.org/10.1016/j.mejo.2006.04.004openalex-snapshot
Effect of packing on the cluster nature of C nanotubes: An information entropy analysis
inferred← citeshttps://doi.org/10.1016/s0065-7743(08)60590-4openalex-snapshot
Chapter 28. Recent Developments in Molecular Diversity: Computational Approaches to Combinatorial Chemistry
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/s0169-7439(99)00010-6openalex-snapshot
Approaches to the design of combinatorial libraries
inferred← citeshttps://doi.org/10.1016/s0960-894x(02)00189-0openalex-snapshot
CoMFA and HQSAR of acylhydrazide cruzain inhibitors
inferred← citeshttps://doi.org/10.1016/s1093-3263(00)00059-0openalex-snapshot
Applications of random sampling to virtual screening of combinatorial libraries
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/s1359-6446(01)02093-1openalex-snapshot
Statistical design and application to combinatorial chemistry
inferred← citeshttps://doi.org/10.1016/s1359-6446(99)01334-3openalex-snapshot
Molecular diversity and its analysis
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(98)80012-4openalex-snapshot
Computational methods in molecular diversity and combinatorial chemistry
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c01013openalex-snapshot
Diversity and Chemical Library Networks of Large Data Sets
inferred← citeshttps://doi.org/10.1021/cb300003zopenalex-snapshot
Glycan Fingerprints: Calculating Diversity in Glycan Libraries
inferred← citeshttps://doi.org/10.1021/cc000073eopenalex-snapshot
Diverse Viewpoints on Computational Aspects of Molecular Diversity
inferred← citeshttps://doi.org/10.1021/ci000069qopenalex-snapshot
Ties in Proximity and Clustering Compounds
inferred← citeshttps://doi.org/10.1021/ci010132ropenalex-snapshot
Reoptimization of MDL Keys for Use in Drug Discovery
inferred← citeshttps://doi.org/10.1021/ci010376bopenalex-snapshot
Chemical Library Subset Selection Algorithms: A Unified Derivation Using Spatial Statistics
inferred← citeshttps://doi.org/10.1021/ci0342831openalex-snapshot
Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 2. Application to Clustering of Chemical Databases
inferred← citeshttps://doi.org/10.1021/ci049702oopenalex-snapshot
“In-House Likeness”: Comparison of Large Compound Collections Using Artificial Neural Networks
inferred← citeshttps://doi.org/10.1021/ci050035oopenalex-snapshot
Clustering Chemical Databases Using Adaptable Projection Cells and MCS Similarity Values
inferred← citeshttps://doi.org/10.1021/ci050521bopenalex-snapshot
A Family of Ring System-Based Structural Fragments for Use in Structure−Activity Studies: Database Mining and Recursive Partitioning
inferred← citeshttps://doi.org/10.1021/ci060074fopenalex-snapshot
Explicit Diversity Index (EDI): A Novel Measure for Assessing the Diversity of Compound Databases
inferred← citeshttps://doi.org/10.1021/ci1002087openalex-snapshot
Natural Product-Like Virtual Libraries: Recursive Atom-Based Enumeration
inferred← citeshttps://doi.org/10.1021/ci200166topenalex-snapshot
Enhancing the Accuracy of Chemogenomic Models with a Three-Dimensional Binding Site Kernel
inferred← citeshttps://doi.org/10.1021/ci200446yopenalex-snapshot
Library Enhancement through the Wisdom of Crowds
inferred← citeshttps://doi.org/10.1021/ci400303nopenalex-snapshot
Computational Profiling of Bioactive Compounds Using a Target-Dependent Composite Workflow
inferred← citeshttps://doi.org/10.1021/ci600219nopenalex-snapshot
A Cluster-Based Strategy for Assessing the Overlap between Large Chemical Libraries and Its Application to a Recent Acquisition
inferred← citeshttps://doi.org/10.1021/ci800231dopenalex-snapshot
ProSAR: A New Methodology for Combinatorial Library Design
inferred← citeshttps://doi.org/10.1021/ci900056copenalex-snapshot
Comparison of Several Molecular Docking Programs: Pose Prediction and Virtual Screening Accuracy
inferred← citeshttps://doi.org/10.1021/ci9700337openalex-snapshot
Stochastic Algorithms for Maximizing Molecular Diversity
inferred← citeshttps://doi.org/10.1021/ci970056lopenalex-snapshot
Lead Discovery Using Stochastic Cluster Analysis (SCA): A New Method for Clustering Structurally Similar Compounds
inferred← citeshttps://doi.org/10.1021/ci970060xopenalex-snapshot
DIVSEL and COMPLIB - Strategies for the Design and Comparison of Combinatorial Libraries using Pharmacophoric Descriptors
inferred← citeshttps://doi.org/10.1021/ci970095xopenalex-snapshot
Rational Combinatorial Library Design. 1. Focus-2D: A New Approach to the Design of Targeted Combinatorial Chemical Libraries
inferred← citeshttps://doi.org/10.1021/ci970420gopenalex-snapshot
The Effectiveness of Reactant Pools for Generating Structurally-Diverse Combinatorial Libraries
inferred← citeshttps://doi.org/10.1021/ci980003jopenalex-snapshot
Rational Screening Set Design and Compound Selection: Cascaded Clustering
inferred← citeshttps://doi.org/10.1021/ci980008gopenalex-snapshot
Evaluation of Quantitative Structure−Activity Relationship Methods for Large-Scale Prediction of Chemicals Binding to the Estrogen Receptor
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/ci980100copenalex-snapshot
An Efficient Implementation of Distance-Based Diversity Measures Based on k−d Trees
inferred← citeshttps://doi.org/10.1021/ci9801015openalex-snapshot
Application of Nearest-Neighbor and Cluster Analyses in Pharmaceutical Lead Discovery
inferred← citeshttps://doi.org/10.1021/ci980103popenalex-snapshot
Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining
inferred← citeshttps://doi.org/10.1021/ci980332bopenalex-snapshot
Selecting Combinatorial Libraries to Optimize Diversity and Physical Properties
inferred← citeshttps://doi.org/10.1021/ci9803381openalex-snapshot
Unsupervised Data Base Clustering Based on Daylight's Fingerprint and Tanimoto Similarity: A Fast and Automated Way To Cluster Small and Large Data Sets
inferred← citeshttps://doi.org/10.1021/ci990032+openalex-snapshot
Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b
inferred← citeshttps://doi.org/10.1021/ci990162iopenalex-snapshot
The Characterization of Chemical Structures Using Molecular Properties. A Survey
inferred← citeshttps://doi.org/10.1021/ci990182kopenalex-snapshot
Base Information Content in Organic Formulas
inferred← citeshttps://doi.org/10.1021/ci990428lopenalex-snapshot
Bit-String Methods for Selective Compound Acquisition
inferred← citeshttps://doi.org/10.1021/ci990437uopenalex-snapshot
Molecular Dataset Diversity Indices and Their Applications to Comparison of Chemical Databases and QSAR Analysis
inferred← citeshttps://doi.org/10.1021/jm970033yopenalex-snapshot
Designing Combinatorial Library Mixtures Using a Genetic Algorithm
inferred← citeshttps://doi.org/10.1021/jm970775ropenalex-snapshot
IcePick: A Flexible Surface-Based System for Molecular Diversity
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:1009636310640openalex-snapshot
Advances in diversity profiling and combinatorial series design
inferred← citeshttps://doi.org/10.1023/a:1017037831628openalex-snapshot
3D QSAR: current state, scope, and limitations
inferred← citeshttps://doi.org/10.1023/b:modi.0000006836.76687.8bopenalex-snapshot
Analysis of selection methodologies for combinatorial library design
inferred← citeshttps://doi.org/10.1039/b410053kopenalex-snapshot
Optimising the EVA descriptor for prediction of biological activity
inferred← citeshttps://doi.org/10.1039/c5dt03511bopenalex-snapshot
Automated design of flexible linkers
inferred← citeshttps://doi.org/10.1089/106652799318382openalex-snapshot
Dissimilarity-Based Algorithms for Selecting Structurally Diverse Sets of Compounds
inferred← citeshttps://doi.org/10.1093/comjnl/41.8.547openalex-snapshot
Similarity and Dissimilarity Methods for Processing Chemical Structure Databases
inferred← citeshttps://doi.org/10.1109/isda.2005.72openalex-snapshot
New models for the clustering of large databases through a hierarchical paradigm
inferred← citeshttps://doi.org/10.1134/s1070363210120248openalex-snapshot
Computational methods and software in computer-aided combinatorial library design
inferred← citeshttps://doi.org/10.1142/s0219633607002812openalex-snapshot
COMPARISON OF THREE 3D-QSAR METHODS USING A NOVEL CLASS OF MURF INHIBITORS
inferred← citeshttps://doi.org/10.1145/299432.299510openalex-snapshot
Computational analysis of molecular diversity for drug discovery
inferred← citeshttps://doi.org/10.1186/s13321-021-00504-4openalex-snapshot
Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection
inferred← citeshttps://doi.org/10.1201/9780203903827.ch16openalex-snapshot
Computer Aided Drug Design
inferred← citeshttps://doi.org/10.1201/9781482270761-17openalex-snapshot
Relative and Absolute Diversity Analysis of Combinatorial Libraries
inferred← citeshttps://doi.org/10.1897/01-171openalex-snapshot
Quantitative structure-activity relationship methods: Perspectives on drug discovery and toxicology
inferred← citeshttps://doi.org/10.2174/1386207024607392openalex-snapshot
Scalable Methods for the Construction and Analysis of Virtual Combinatorial Libraries
inferred← citeshttps://doi.org/10.2174/9781608057450113010005openalex-snapshot
Building a Chemical Space Based on Fragment Descriptors
inferred← citeshttps://doi.org/10.4103/0250-474x.180251openalex-snapshot
CoMFA, CoMSIA, HQSAR and molecular docking analysis of ionone-based chalcone derivatives as antiprostate cancer activity
inferred← citeshttps://doi.org/10.6084/m9.figshare.14478540openalex-snapshot
Additional file 1 of Extended similarity indices: the benefits of comparing more than two objects simultaneously. Part 2: speed, consistency, diversity selection
Editorial review for independent work. ICSAC — the Institute for Complexity
Science and Advanced Computing — runs a structured editorial panel for researchers
publishing outside journals, and publishes on CiteStamp rails. Submission is free
and goes through ORCID: icsacinstitute.org/submit.