On the public citation graph

Clustering a large number of compounds. 1. Establishing the method on an initial sample

https://doi.org/10.1021/ci00062a004
0 signed · 41 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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 points at this work

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

inferred← citeshttps://doi.org/10.1002/0470845015.cma009openalex-snapshot
Structural Similarity Measures for Database Searching
inferred← citeshttps://doi.org/10.1002/0471433519.ch1openalex-snapshot
Clustering Methods and Their Uses in Computational Chemistry
inferred← citeshttps://doi.org/10.1002/9780470125847.ch1openalex-snapshot
Similarity Searching in Databases of Chemical Structures
inferred← citeshttps://doi.org/10.1002/9783527611249.ch8openalex-snapshot
Virtual Screening in Crop Protection Research
inferred← citeshttps://doi.org/10.1002/9783527615674.ch3openalex-snapshot
Rational Use of Chemical and Sequence Databases
inferred← citeshttps://doi.org/10.1002/9783527618279.ch33openalex-snapshot
Similarity Searching in Chemical Structure Databases
inferred← citeshttps://doi.org/10.1002/chin.198950333openalex-snapshot
ChemInform Abstract: Clustering a Large Number of Compounds. Part 1. Establishing the Method on an Initial Sample.
inferred← citeshttps://doi.org/10.1002/cmdc.200800290openalex-snapshot
Similarity‐Based Virtual Screening with a Bayesian Inference Network
inferred← citeshttps://doi.org/10.1002/qsar.19950140602openalex-snapshot
A Fast Algorithm For Selecting Sets Of Dissimilar Molecules From Large Chemical Databases
inferred← citeshttps://doi.org/10.1007/0-306-46873-5_6openalex-snapshot
Subset-Selection Methods For Chemical Databases
inferred← citeshttps://doi.org/10.1007/978-1-60761-839-3_9openalex-snapshot
Fragment Descriptors in Structure–Property Modeling and Virtual Screening
inferred← citeshttps://doi.org/10.1007/978-3-642-46808-7_25openalex-snapshot
Similarity Searching in Databases of Three-Dimensional Chemical Structures
inferred← citeshttps://doi.org/10.1007/978-3-642-51175-2_1openalex-snapshot
Classification and Clustering: Problems for the Future
inferred← citeshttps://doi.org/10.1007/978-3-642-78027-1_36openalex-snapshot
Evaluation of Similarity Searching Methods Using Activity and Toxicity Data
inferred← citeshttps://doi.org/10.1007/978-94-011-1350-2_5openalex-snapshot
Similarity-searching and clustering algorithms for processing databases of two-dimensional and three-dimensional chemical structures
inferred← citeshttps://doi.org/10.1007/978-94-011-3198-8_8openalex-snapshot
The Use of Similarity and Clustering Techniques for the Prediction of Molecular Properties
inferred← citeshttps://doi.org/10.1007/bf00126218openalex-snapshot
A fast and efficient method for 2D and 3D molecular shape description
inferred← citeshttps://doi.org/10.1007/bf03380178openalex-snapshot
Computational tools for the analysis of molecular diversity
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(97)00073-7openalex-snapshot
Data structure comparison using fractal analysis
inferred← citeshttps://doi.org/10.1016/s0169-7439(98)00085-9openalex-snapshot
Representative subset selection using genetic algorithms
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/s0169-7439(99)00024-6openalex-snapshot
Studies of self association in alcohols as functions of concentrations and temperature
inferred← citeshttps://doi.org/10.1021/bk-2011-1076.ch004openalex-snapshot
Ligand-Based Virtual Screening Using Bayesian Inference Network
inferred← citeshttps://doi.org/10.1021/ci000322mopenalex-snapshot
Molecular Descriptors for Effective Classification of Biologically Active Compounds Based on Principal Component Analysis Identified by a Genetic Algorithm
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/ci200061popenalex-snapshot
Accelerating Two Algorithms for Large-Scale Compound Selection on GPUs
inferred← citeshttps://doi.org/10.1021/ci200235eopenalex-snapshot
Anatomy of High-Performance 2D Similarity Calculations
inferred← citeshttps://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferred← citeshttps://doi.org/10.1021/ci970224+openalex-snapshot
Optimum Utilization of a Compound Collection or Chemical Library for Drug 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/ci980231dopenalex-snapshot
Identification of a Preferred Set of Molecular Descriptors for Compound Classification Based on Principal Component Analysis
inferred← citeshttps://doi.org/10.1021/ci990435+openalex-snapshot
CerBeruS: A System Supporting the Sequential Screening Process
inferred← citeshttps://doi.org/10.1100/2012/410914openalex-snapshot
Ligand-Based Virtual Screening Using Bayesian Inference Network and Reweighted Fragments
inferred← citeshttps://doi.org/10.1177/1087057104269570openalex-snapshot
Practical Approaches to Efficient Screening: Information-Rich Screening Protocol
inferred← citeshttps://doi.org/10.1177/216847909002400405openalex-snapshot
Clustering Tendency Applied to Chemical Feature Selection
inferred← citeshttps://doi.org/10.1371/journal.pone.0175758openalex-snapshot
Reconstruction of 3D structures of MET antibodies from electron microscopy 2D class averages
inferred← citeshttps://doi.org/10.1385/1-59259-802-1:301openalex-snapshot
Comparison of Methods Based on Diversity and Similarity for Molecule Selection and the Analysis of Drug Discovery Data
inferred← citeshttps://doi.org/10.1897/01-198openalex-snapshot
Structure-activity relationship approaches and applications
inferred← citeshttps://doi.org/10.2174/9781608057450113010005openalex-snapshot
Building a Chemical Space Based on Fragment Descriptors
inferred← citeshttps://doi.org/10.2307/1311415openalex-snapshot
Proposed Automation of a Human-Tumor-Drug Screen
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.