On the public citation graph

Analysis and Study of Molecule Data Sets Using Snowflake Diagrams of Weighted Maximum Common Subgraph Trees

https://doi.org/10.1021/ci100484z
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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/10.1002/9780470604137openalex-snapshot
Data Warehousing Fundamentals for it Professionals
inferredcites →https://doi.org/10.1002/9783527628766openalex-snapshot
Molecular Descriptors for Chemoinformatics
inferredcites →https://doi.org/10.1002/jcc.20671openalex-snapshot
QSAR models based on isomorphic and nonisomorphic data fusion for predicting the blood brain barrier permeability
inferredcites →https://doi.org/10.1006/ijhc.2000.0420openalex-snapshot
An evaluation of space-filling information visualizations for depicting hierarchical structures
inferredcites →https://doi.org/10.1007/978-3-540-69387-1_41openalex-snapshot
A Java Tool for the Management of Chemical Databases and Similarity Analysis Based on Molecular Graphs Isomorphism
inferredcites →https://doi.org/10.1007/978-3-540-69839-5_75openalex-snapshot
A Tool for the Calculation of Molecular Descriptors in the Development of QSAR Models
inferredcites →https://doi.org/10.1007/978-3-540-77537-9_36openalex-snapshot
Visualizing Internet Evolution on the Autonomous Systems Level
inferredcites →https://doi.org/10.1007/978-3-7643-7950-6openalex-snapshot
The Geometry of the Word Problem for Finitely Generated Groups
inferredcites →https://doi.org/10.1016/0009-2614(82)80009-2openalex-snapshot
Highly discriminating distance-based topological index
inferredcites →https://doi.org/10.1016/0022-2860(77)87052-xopenalex-snapshot
Chemical applications of graph theory
inferredcites →https://doi.org/10.1016/j.jmgm.2006.12.006openalex-snapshot
On representation of proteins by star-like graphs
inferredcites →https://doi.org/10.1016/j.theochem.2004.04.013openalex-snapshot
QSAR of anti tuberculosis drugs of INH type using graphical invariants
inferredcites →https://doi.org/10.1021/ci0001177openalex-snapshot
QSAR with Few Compounds and Many Features
inferredcites →https://doi.org/10.1021/ci034167yopenalex-snapshot
Step-by-Step Calculation of All Maximum Common Substructures through a Constraint Satisfaction Based Algorithm
inferredcites →https://doi.org/10.1021/ci034256aopenalex-snapshot
Representation of the Molecular Topology of Cyclical Structures by Means of Cycle Graphs. 1. Extraction of Topological Properties
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/ci050035oopenalex-snapshot
Clustering Chemical Databases Using Adaptable Projection Cells and MCS Similarity Values
inferredcites →https://doi.org/10.1021/ci0500381openalex-snapshot
A Stepwise Approach for Defining the Applicability Domain of SAR and QSAR Models
inferredcites →https://doi.org/10.1021/ci0600511openalex-snapshot
A Steroids QSAR Approach Based on Approximate Similarity Measurements
inferredcites →https://doi.org/10.1021/ci060117sopenalex-snapshot
On Outliers and Activity CliffsWhy QSAR Often Disappoints
inferredcites →https://doi.org/10.1021/ci600216hopenalex-snapshot
Refinement and Use of the Approximate Similarity in QSAR Models for Benzodiazepine Receptor Ligands
inferredcites →https://doi.org/10.1021/ci600338xopenalex-snapshot
The Scaffold Tree − Visualization of the Scaffold Universe by Hierarchical Scaffold Classification
inferredcites →https://doi.org/10.1021/ci600427xopenalex-snapshot
Radial Clustergrams: Visualizing the Aggregate Properties of Hierarchical Clusters
inferredcites →https://doi.org/10.1021/ci600444gopenalex-snapshot
Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs
inferredcites →https://doi.org/10.1021/ci700180mopenalex-snapshot
Data Fusion of Similarity and Dissimilarity Measurements Using Wiener-Based Indices for the Prediction of the NPY Y5 Receptor Antagonist Capacity of Benzoxazinones
inferredcites →https://doi.org/10.1021/ci700372sopenalex-snapshot
Using Molecular Fingerprint as Descriptors in the QSPR Study of Lipophilicity
inferredcites →https://doi.org/10.1021/ci900049eopenalex-snapshot
Consensus Superiority of the Pharmacophore-Based Alignment, Over Maximum Common Substructure (MCS): 3D-QSAR Studies on Carbamates as Acetylcholinesterase Inhibitors
inferredcites →https://doi.org/10.1021/ci9001102openalex-snapshot
Finding Key Members in Compound Libraries by Analyzing Networks of Molecules Assembled by Structural Similarity
inferredcites →https://doi.org/10.1021/ci900123vopenalex-snapshot
Small-World Phenomena in Chemical Library Networks: Application to Fragment-Based Drug Discovery
inferredcites →https://doi.org/10.1021/ci900350hopenalex-snapshot
2D Depiction of Fragment Hierarchies
inferredcites →https://doi.org/10.1021/ci900416aopenalex-snapshot
SARANEA: A Freely Available Program To Mine Structure−Activity and Structure−Selectivity Relationship Information in Compound Data Sets
inferredcites →https://doi.org/10.1021/ci9700889openalex-snapshot
Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra
inferredcites →https://doi.org/10.1021/ci980033mopenalex-snapshot
Novel Variable Selection Quantitative Structure−Property Relationship Approach Based on the k -Nearest-Neighbor Principle
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja01193a005openalex-snapshot
Structural Determination of Paraffin Boiling Points
inferredcites →https://doi.org/10.1021/jm00226a007openalex-snapshot
Mode of action and quantitative structure-activity correlations of tuberculostatic drugs of the isonicotinic acid hydrazide type
inferredcites →https://doi.org/10.1021/jm800867gopenalex-snapshot
Structure−Activity Relationship Anatomy by Network-like Similarity Graphs and Local Structure−Activity Relationship Indices
inferredcites →https://doi.org/10.1023/a:1021271615909openalex-snapshot
Maximum common subgraph isomorphism algorithms for the matching of chemical structures
inferredcites →https://doi.org/10.1080/01621459.1963.10500845openalex-snapshot
Hierarchical Grouping to Optimize an Objective Function
inferredcites →https://doi.org/10.1145/331499.331504openalex-snapshot
Data clustering
inferredcites →https://doi.org/10.1201/9781420057140openalex-snapshot
Graph Theory and Its Applications
inferredcites →https://doi.org/10.5860/choice.41-5919openalex-snapshot
An introduction to chemoinformatics

What points at this work

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

inferred← citeshttps://doi.org/10.1007/s00044-013-0527-2openalex-snapshot
QSAR studies on pyrrolidine amides derivatives as DPP-IV inhibitors for type 2 diabetes
inferred← citeshttps://doi.org/10.1007/s10822-013-9637-7openalex-snapshot
QSAR model based on weighted MCS trees approach for the representation of molecule data sets
inferred← citeshttps://doi.org/10.1016/j.chemolab.2013.04.003openalex-snapshot
An Algorithm for Pattern Extraction in Fingerprints
inferred← citeshttps://doi.org/10.1016/j.chemolab.2018.03.007openalex-snapshot
A new data representation based on relative measurements and fingerprint patterns for the development of QSAR regression models
inferred← citeshttps://doi.org/10.1021/acs.jcim.7b00492openalex-snapshot
Advantages of Relative versus Absolute Data for the Development of Quantitative Structure–Activity Relationship Classification Models
inferred← citeshttps://doi.org/10.1021/ci4004464openalex-snapshot
Construction and Use of Fragment-Augmented Molecular Hasse Diagrams
inferred← citeshttps://doi.org/10.1080/1062936x.2012.719543openalex-snapshot
Comparison of representational spaces based on structural information in the development of QSAR models for benzylamino enaminone derivatives
inferred← citeshttps://doi.org/10.1080/1062936x.2018.1442879openalex-snapshot
QSAR classification and regression models for β-secretase inhibitors using relative distance matrices
inferred← citeshttps://doi.org/10.1080/1062936x.2018.1494038openalex-snapshot
Robust QSAR prediction models for volume of distribution at steady state in humans using relative distance measurements
inferred← citeshttps://doi.org/10.1155/2013/798743openalex-snapshot
Predicting the DPP-IV Inhibitory Activity pIC50 Based on Their Physicochemical Properties
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.