On the public citation graph

Finding Key Members in Compound Libraries by Analyzing Networks of Molecules Assembled by Structural Similarity

https://doi.org/10.1021/ci9001102
0 signed · 52 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.
Claim with ORCID
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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.
See reference health

What this work says

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

inferredcites →https://doi.org/10.1002/3527602755openalex-snapshot
Handbook of Graphs and Networks
inferredcites →https://doi.org/10.1002/9783527618279openalex-snapshot
Handbook of Chemoinformatics
inferredcites →https://doi.org/10.1002/pmic.200700638openalex-snapshot
Proteomics, networks and connectivity indices
inferredcites →https://doi.org/10.1007/978-1-4020-6291-9openalex-snapshot
An Introduction To Chemoinformatics
inferredcites →https://doi.org/10.1007/s10822-008-9192-9openalex-snapshot
Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays
inferredcites →https://doi.org/10.1016/0097-8485(77)85003-1openalex-snapshot
Minimal spanning tree clustering of gas chromatographic liquid phases
inferredcites →https://doi.org/10.1016/s0003-2670(01)95427-3openalex-snapshot
Application of pattern recognition to structure-activity problems
inferredcites →https://doi.org/10.1017/cbo9780511790515openalex-snapshot
Systems Biology
inferredcites →https://doi.org/10.1021/ac00153a005openalex-snapshot
Characterization and selection of electrolyte systems for isotachophoresis of anions by cluster analysis
inferredcites →https://doi.org/10.1021/ci034292+openalex-snapshot
Optimized Partition of Minimum Spanning Tree for Piecewise Modeling by Particle Swarm Algorithm. QSAR Studies of Antagonism of Angiotensin II Antagonists
inferredcites →https://doi.org/10.1021/ci7001878openalex-snapshot
Graph Theoretical Similarity Approach To Compare Molecular Electrostatic Potentials
inferredcites →https://doi.org/10.1021/ci7002686openalex-snapshot
Predicting Key Example Compounds in Competitors' Patent Applications Using Structural Information Alone
inferredcites →https://doi.org/10.1021/ci700413aopenalex-snapshot
Comparison of Similarity Coefficients for Clustering and Compound Selection
inferredcites →https://doi.org/10.1021/ci8000259openalex-snapshot
Quantifying the Relationships among Drug Classes
inferredcites →https://doi.org/10.1021/jf00085a034openalex-snapshot
Selection and classification of volatile compounds of apricot using the RV coefficient
inferredcites →https://doi.org/10.1021/jm00081a021openalex-snapshot
Multivariate analysis by the minimum spanning tree method of the structural determinants of diphenylethylenes and triphenylacrylonitriles implicated in estrogen receptor binding, protein kinase C activity, and MCF7 cell proliferation
inferredcites →https://doi.org/10.1021/jm800656vopenalex-snapshot
Quantitative Structure−Activity Relationship and Complex Network Approach to Monoamine Oxidase A and B Inhibitors
inferredcites →https://doi.org/10.1021/jm970775ropenalex-snapshot
IcePick: A Flexible Surface-Based System for Molecular Diversity
inferredcites →https://doi.org/10.1038/73786openalex-snapshot
A general definition of metabolic pathways useful for systematic organization and analysis of complex metabolic networks
inferredcites →https://doi.org/10.1038/nbt1007-1110openalex-snapshot
Network pharmacology
inferredcites →https://doi.org/10.1038/nbt1284openalex-snapshot
Relating protein pharmacology by ligand chemistry
inferredcites →https://doi.org/10.1042/bst0310603openalex-snapshot
Similarity-based approaches to virtual screening
inferredcites →https://doi.org/10.1042/bst0360758openalex-snapshot
Computational approaches to study transcriptional regulation
inferredcites →https://doi.org/10.1073/pnas.0503647102openalex-snapshot
Charting biologically relevant chemical space: A structural classification of natural products (SCONP)
inferredcites →https://doi.org/10.1093/protein/9.11.1063openalex-snapshot
An automated approach for clustering an ensemble of NMR-derived protein structures into conformationally related subfamilies
inferredcites →https://doi.org/10.1146/annurev.cellbio.24.110707.175408openalex-snapshot
Systems Approaches to Identifying Gene Regulatory Networks in Plants
inferredcites →https://doi.org/10.1186/1471-2105-4-2openalex-snapshot
An automated method for finding molecular complexes in large protein interaction networks
inferredcites →https://doi.org/10.1515/9781400841356openalex-snapshot
The Structure and Dynamics of Networks
inferredcites →https://doi.org/10.18637/jss.v018.i05openalex-snapshot
Chemical Informatics Functionality in R
inferredcites →https://doi.org/10.2174/092986708784638843openalex-snapshot
What Does Systems Biology Mean for Drug Development?

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

inferred← citeshttps://doi.org/10.1002/9783527645251.ch15openalex-snapshot
What Does an HTS File of the Future Look Like?
inferred← citeshttps://doi.org/10.1002/aic.15090openalex-snapshot
Ensemble locally weighted partial least squares as a just‐in‐time modeling method
inferred← citeshttps://doi.org/10.1016/b978-0-12-394447-4.40041-6openalex-snapshot
High-Content Screening in Cell Biology
inferred← citeshttps://doi.org/10.1016/b978-0-12-816125-8.00013-4openalex-snapshot
Analysis of Chemical Spaces: Implications for Drug Repurposing
inferred← citeshttps://doi.org/10.1016/b978-0-12-821618-7.00032-8openalex-snapshot
High-Content Screening in Cell Biology
inferred← citeshttps://doi.org/10.1016/j.aca.2023.341720openalex-snapshot
A structural similarity networking assisted collision cross-section prediction interval filtering strategy for multi-compound identification of complex matrix by ion-mobility mass spectrometry
inferred← citeshttps://doi.org/10.1021/ci100484zopenalex-snapshot
Analysis and Study of Molecule Data Sets Using Snowflake Diagrams of Weighted Maximum Common Subgraph Trees
inferred← citeshttps://doi.org/10.1021/ci3001293openalex-snapshot
Exploiting Structural Information in Patent Specifications for Key Compound Prediction
inferred← citeshttps://doi.org/10.1021/ci300556bopenalex-snapshot
Reaction Schemes Visualized in Network Form: The Syntheses of Strychnine as an Example
inferred← citeshttps://doi.org/10.1021/ci500150topenalex-snapshot
Blocked Inverted Indices for Exact Clustering of Large Chemical Spaces
inferred← citeshttps://doi.org/10.1021/ci500364eopenalex-snapshot
Applicability Domain Based on Ensemble Learning in Classification and Regression Analyses
inferred← citeshttps://doi.org/10.1038/s41598-020-75029-1openalex-snapshot
Automatic construction of molecular similarity networks for visual graph mining in chemical space of bioactive peptides: an unsupervised learning approach
inferred← citeshttps://doi.org/10.1039/c7ra09066hopenalex-snapshot
Drowning in diversity? A systematic way of clustering and selecting a representative set of new psychoactive substances
inferred← citeshttps://doi.org/10.1093/database/baz001openalex-snapshot
Automatic identification of relevant chemical compounds from patents
inferred← citeshttps://doi.org/10.1186/s13321-021-00526-yopenalex-snapshot
“Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
inferred← citeshttps://doi.org/10.1186/s13321-022-00664-xopenalex-snapshot
Visualizing chemical space networks with RDKit and NetworkX
inferred← citeshttps://doi.org/10.1371/journal.pcbi.1004153openalex-snapshot
Large-Scale Chemical Similarity Networks for Target Profiling of Compounds Identified in Cell-Based Chemical Screens
inferred← citeshttps://doi.org/10.1371/journal.pone.0088938openalex-snapshot
Node Interference and Robustness: Performing Virtual Knock-Out Experiments on Biological Networks: The Case of Leukocyte Integrin Activation Network
inferred← citeshttps://doi.org/10.5772/35846openalex-snapshot
Centralities Based Analysis of Complex Networks
inferred← citeshttps://doi.org/10.5772/intechopen.73170openalex-snapshot
On the Organization of a Drug Discovery Platform
inferred← citeshttps://doi.org/10.6084/m9.figshare.15047880openalex-snapshot
Additional file 1 of “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
inferred← citeshttps://doi.org/10.6084/m9.figshare.26557934openalex-snapshot
Additional file 1 of Visualizing chemical space networks with RDKit and NetworkX
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.