On the public citation graph
A Hierarchical Clustering Approach for Large Compound Libraries
0 signed · 96 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known work and none has been retracted — and get a dated CiteStamped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/(sici)1521-3773(19991004)38:19<2894::aid-anie2894>3.0.co;2-fopenalex-snapshot
“Scaffold-Hopping” by Topological Pharmacophore Search: A Contribution to Virtual Screening
inferredcites →https://doi.org/10.1002/(sici)1521-3773(19991004)38:19<2896::aid-anie2896>3.0.co;2-3openalex-snapshot
Cascade Reactions in Quantitative Solid-State Syntheses
inferredcites →https://doi.org/10.1002/0471433519.ch1openalex-snapshot
Clustering Methods and Their Uses in Computational Chemistry
inferredcites →https://doi.org/10.1002/j.1538-7305.1948.tb01338.xopenalex-snapshot
A Mathematical Theory of Communication
inferredcites →https://doi.org/10.1002/med.10041openalex-snapshot
Selection criteria for drug‐like compounds
inferredcites →https://doi.org/10.1002/qsar.200330825openalex-snapshot
Collection of Bioactive Reference Compounds for Focused Library Design
inferredcites →https://doi.org/10.1002/qsar.200330860openalex-snapshot
Status of HTS Data Mining Approaches
inferredcites →https://doi.org/10.1016/s0167-4838(99)00263-0openalex-snapshot
Lysosomal cysteine proteases: more than scavengers
inferredcites →https://doi.org/10.1016/s0167-7799(02)01906-6openalex-snapshot
Functional cell-based uHTS in chemical genomic drug discovery
inferredcites →https://doi.org/10.1016/s1359-6446(00)01517-8openalex-snapshot
Diversity screening versus focussed screening in drug discovery
inferredcites →https://doi.org/10.1016/s1359-6446(01)02091-8openalex-snapshot
Virtual screening and fast automated docking methods
inferredcites →https://doi.org/10.1016/s1359-6446(02)02550-3openalex-snapshot
Combinatorial chemistry
inferredcites →https://doi.org/10.1021/ci0000631openalex-snapshot
LeadScope: Software for Exploring Large Sets of Screening Data
inferredcites →https://doi.org/10.1021/ci000384copenalex-snapshot
Unsupervised Forward Selection: A Method for Eliminating Redundant Variables
inferredcites →https://doi.org/10.1021/ci00051a006openalex-snapshot
Computer storage and retrieval of generic chemical structures in patents. 7. Parallel simulation of a relaxation algorithm for chemical substructure search
inferredcites →https://doi.org/10.1021/ci010244iopenalex-snapshot
Analysis of Large Screening Data Sets via Adaptively Grown Phylogenetic-Like Trees
inferredcites →https://doi.org/10.1021/ci0102867openalex-snapshot
Differential Shannon Entropy as a Sensitive Measure of Differences in Database Variability of Molecular Descriptors
inferredcites →https://doi.org/10.1021/ci0342674openalex-snapshot
Clustering Files of Chemical Structures Using the Fuzzy k -Means Clustering Method
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/ci960361ropenalex-snapshot
Algorithm5: A Technique for Fuzzy Similarity Clustering of Chemical Inventories
inferredcites →https://doi.org/10.1021/ci990423oopenalex-snapshot
Strategic Pooling of Compounds for High-Throughput Screening
inferredcites →https://doi.org/10.1021/jm000060fopenalex-snapshot
Caspases as Targets for Anti-Inflammatory and Anti-Apoptotic Drug Discovery
inferredcites →https://doi.org/10.1021/jm010435copenalex-snapshot
Structure-Based Design of a Parallel Synthetic Array Directed Toward the Discovery of Irreversible Inhibitors of Human Rhinovirus 3C Protease
inferredcites →https://doi.org/10.1021/jm0303002openalex-snapshot
NMR Structural Characterization of Peptide Inhibitors Bound to the Hepatitis C Virus NS3 Protease: Design of a New P2 Substituent
inferredcites →https://doi.org/10.1023/b:jcam.0000017375.61558.adopenalex-snapshot
Comparison of correlation vector methods for ligand-based similarity searching
inferredcites →https://doi.org/10.1038/nrd1063openalex-snapshot
Designing screens: how to make your hits a hit
inferredcites →https://doi.org/10.1038/nrd1086openalex-snapshot
Hit and lead generation: beyond high-throughput screening
inferredcites →https://doi.org/10.1038/nrd1283openalex-snapshot
Steroid-hormone rapid actions, membrane receptors and a conformational ensemble model
inferredcites →https://doi.org/10.1038/nrd1342openalex-snapshot
Targeting IL-1 in inflammatory disease: new opportunities for therapeutic intervention
inferredcites →https://doi.org/10.1038/nrd941openalex-snapshot
Integration of virtual and high-throughput screening
inferredcites →https://doi.org/10.1093/bioinformatics/18.suppl_1.s111openalex-snapshot
Binary tree-structured vector quantization approach to clustering and visualizing microarray data
inferredcites →https://doi.org/10.1242/jcs.00063openalex-snapshot
Metalloproteinase inhibitors: biological actions and therapeutic opportunities
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/9780470567623.ch15openalex-snapshot
Dimensionality Reduction Techniques for Pharmaceutical Data Mining
inferred← citeshttps://doi.org/10.1002/9783527645121.ch7openalex-snapshot
Structural‐Similarity‐Based Approaches for the Development of Clustering and QSPR/QSAR Models in Chemical Databases
inferred← citeshttps://doi.org/10.1002/aris.2009.1440430108openalex-snapshot
Similarity methods in chemoinformatics
inferred← citeshttps://doi.org/10.1002/biot.201700503openalex-snapshot
Analysing and Navigating Natural Products Space for Generating Small, Diverse, But Representative Chemical Libraries
inferred← citeshttps://doi.org/10.1002/chin.200539195openalex-snapshot
A Hierarchical Clustering Approach for Large Compound Libraries.
inferred← citeshttps://doi.org/10.1002/ddr.20404openalex-snapshot
Molecular similarity and diversity approaches in chemoinformatics
inferred← citeshttps://doi.org/10.1002/jcc.26028openalex-snapshot
Feature vector clustering molecular pairs in computer simulations
inferred← citeshttps://doi.org/10.1002/rpm.20240036openalex-snapshot
Macrocycle‐based differential sensing: Design strategies and applications
inferred← citeshttps://doi.org/10.1002/widm.26openalex-snapshot
Similarity‐based data mining in files of two‐dimensional chemical structures using fingerprint measures of molecular resemblance
inferred← citeshttps://doi.org/10.1007/978-3-031-76718-0_5openalex-snapshot
Clustering of Small Molecules
inferred← citeshttps://doi.org/10.1007/978-3-031-78736-2_2openalex-snapshot
Introduction to Cheminformatics for Predictive Modeling
inferred← citeshttps://doi.org/10.1007/978-3-540-71233-6_12openalex-snapshot
A Soft Hierarchical Algorithm for the Clustering of Multiple Bioactive Chemical Compounds
inferred← citeshttps://doi.org/10.1007/978-981-16-5180-9_16openalex-snapshot
Computer Aided Drug Design
inferred← citeshttps://doi.org/10.1016/b978-0-12-802220-7.00005-3openalex-snapshot
The Significance of Discovery Screening and Structure Optimization Studies
inferred← citeshttps://doi.org/10.1016/j.apsb.2012.03.006openalex-snapshot
Quality control of cell-based high-throughput drug screening
inferred← citeshttps://doi.org/10.1016/j.bmc.2012.03.010openalex-snapshot
Combining multiple classifications of chemical structures using consensus clustering
inferred← citeshttps://doi.org/10.1016/j.cbpa.2006.06.003openalex-snapshot
How good is your screening library?
inferred← citeshttps://doi.org/10.1016/j.ddtec.2006.12.007openalex-snapshot
Chemical diversity and biological activity
inferred← citeshttps://doi.org/10.1016/j.ejmech.2006.12.028openalex-snapshot
In-silico drug screening method based on the protein–compound affinity matrix using the factor selection technique
inferred← citeshttps://doi.org/10.1016/j.fct.2011.08.002openalex-snapshot
Interrogating health-related public databases from a food toxicology perspective: Computational analysis of scoring data
inferred← citeshttps://doi.org/10.1016/j.jmgm.2009.06.006openalex-snapshot
Clustering files of chemical structures using the Székely–Rizzo generalization of Ward's method
inferred← citeshttps://doi.org/10.1016/s1574-1400(06)02009-3openalex-snapshot
Chapter 9 Molecular Similarity: Advances in Methods, Applications and Validations in Virtual Screening and QSAR
inferred← citeshttps://doi.org/10.1021/acs.jcim.1c00710openalex-snapshot
Machine Learning-Enabled Pipeline for Large-Scale Virtual Drug Screening
inferred← citeshttps://doi.org/10.1021/acs.jcim.6c00420openalex-snapshot
Nested TMAPs to Visualize Billions of Molecules
inferred← citeshttps://doi.org/10.1021/ci050352vopenalex-snapshot
Assessing the Scaffold Diversity of Screening Libraries
inferred← citeshttps://doi.org/10.1021/ci0503558openalex-snapshot
Relationships between Molecular Complexity, Biological Activity, and Structural Diversity
inferred← citeshttps://doi.org/10.1021/ci050541dopenalex-snapshot
NIPALSTREE: A New Hierarchical Clustering Approach for Large Compound Libraries and Its Application to Virtual Screening
inferred← citeshttps://doi.org/10.1021/ci0600859openalex-snapshot
A Fast Clustering Algorithm for Analyzing Highly Similar Compounds of Very Large Libraries
inferred← citeshttps://doi.org/10.1021/ci2000083openalex-snapshot
Comparison of Combinatorial Clustering Methods on Pharmacological Data Sets Represented by Machine Learning-Selected Real Molecular Descriptors
inferred← citeshttps://doi.org/10.1021/ci500150topenalex-snapshot
Blocked Inverted Indices for Exact Clustering of Large Chemical Spaces
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/ci6004004openalex-snapshot
Clustering and Rule-Based Classifications of Chemical Structures Evaluated in the Biological Activity Space
inferred← citeshttps://doi.org/10.1021/ci600427xopenalex-snapshot
Radial Clustergrams: Visualizing the Aggregate Properties of Hierarchical Clusters
inferred← citeshttps://doi.org/10.1021/ci600565ropenalex-snapshot
Development of a Spectral Clustering Method for the Analysis of Molecular Data Sets
inferred← citeshttps://doi.org/10.1021/ci8000887openalex-snapshot
Toward an Improved Clustering of Large Data Sets Using Maximum Common Substructures and Topological Fingerprints
inferred← citeshttps://doi.org/10.1038/srep09325openalex-snapshot
Clustered Distribution of Natural Product Leads of Drugs in the Chemical Space as Influenced by the Privileged Target-Sites
inferred← citeshttps://doi.org/10.1039/9781837070206-00186openalex-snapshot
Machine Learning in Ligand-based Drug Design
inferred← citeshttps://doi.org/10.1039/d5dd00030kopenalex-snapshot
BitBIRCH: efficient clustering of large molecular libraries
inferred← citeshttps://doi.org/10.1093/nar/gku1212openalex-snapshot
CFam: a chemical families database based on iterative selection of functional seeds and seed-directed compound clustering
inferred← citeshttps://doi.org/10.1101/2024.08.10.607459openalex-snapshot
Efficient clustering of large molecular libraries
inferred← citeshttps://doi.org/10.1109/bibe.2013.6701698openalex-snapshot
Molecular clustering via knowledge mining from biomedical scientific corpora
inferred← citeshttps://doi.org/10.1109/cvpr.2007.383123openalex-snapshot
Fast Keypoint Recognition in Ten Lines of Code
inferred← citeshttps://doi.org/10.1109/iasp.2010.5476136openalex-snapshot
Spatial context for visual vocabulary construction
inferred← citeshttps://doi.org/10.1109/icig.2009.174openalex-snapshot
Hierarchical Gaussian Mixture Model for Image Annotation via PLSA
inferred← citeshttps://doi.org/10.1109/iiswc.2006.302742openalex-snapshot
Clustering Application Benchmark
inferred← citeshttps://doi.org/10.1109/tpami.2009.23openalex-snapshot
Fast Keypoint Recognition Using Random Ferns
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2007.00579.xopenalex-snapshot
A Similarity‐based Data‐fusion Approach to the Visual Characterization and Comparison of Compound Databases
inferred← citeshttps://doi.org/10.1145/1291233.1291278openalex-snapshot
The use of topic evolution to help users browse and find answers in news video corpus
inferred← citeshttps://doi.org/10.1186/1752-153x-4-1openalex-snapshot
The development of a knowledge base for basic active structures: an example case of dopamine agonists
inferred← citeshttps://doi.org/10.1186/1758-2946-5-s1-p53openalex-snapshot
Deterministic clustering of the available chemical space
inferred← citeshttps://doi.org/10.1186/s13321-024-00894-1openalex-snapshot
Democratizing cheminformatics: interpretable chemical grouping using an automated KNIME workflow
inferred← citeshttps://doi.org/10.2174/1871520621666210903122831openalex-snapshot
Theoretical Analysis of Anticancer Cellular Effects of Glycoside Amides
inferred← citeshttps://doi.org/10.3233/ifs-2006-00296openalex-snapshot
Optimization study with ligand-design interval rules
inferred← citeshttps://doi.org/10.32657/10356/53644openalex-snapshot
Local Dependencies for near-duplicate retrieva
inferred← citeshttps://doi.org/10.3389/fntpr.2024.1367537openalex-snapshot
Clustering of small molecules: new perspectives and their impact on natural product lead discovery
inferred← citeshttps://doi.org/10.3390/a1020183openalex-snapshot
Hierarchical Clustering of Large Databases and Classification of Antibiotics at High Noise Levels
inferred← citeshttps://doi.org/10.3390/cells10081946openalex-snapshot
Identification of Novel Cathepsin B Inhibitors with Implications in Alzheimer’s Disease: Computational Refining and Biochemical Evaluation
inferred← citeshttps://doi.org/10.3390/ijms23010393openalex-snapshot
Commercial SARS-CoV-2 Targeted, Protease Inhibitor Focused and Protein–Protein Interaction Inhibitor Focused Molecular Libraries for Virtual Screening and Drug Design
inferred← citeshttps://doi.org/10.3390/nu15010195openalex-snapshot
The Application of Clustering on Principal Components for Nutritional Epidemiology: A Workflow to Derive Dietary Patterns
inferred← citeshttps://doi.org/10.5772/intechopen.89012openalex-snapshot
Artificial Intelligence-Based Drug Design and Discovery
inferred← citeshttps://doi.org/10.6027/tn2013-548openalex-snapshot
Discovery and characterisation of dietary patterns in two Nordic countries
inferred← citeshttps://doi.org/10.70675/a823d591z09e1z4040zbcd3z639d4b539a24openalex-snapshot
Modèles de classification en classes empiétantes : cas des modèles arborés
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.