On the public citation graph

Molecule Kernels: A Descriptor- and Alignment-Free Quantitative Structure–Activity Relationship Approach

https://doi.org/10.1021/ci800144y
0 signed · 37 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/10.1016/0021-9290(94)00116-lopenalex-snapshot
A procedure for determining rigid body transformation parameters
inferredcites →https://doi.org/10.1016/0898-5529(90)90162-2openalex-snapshot
An alternative method for the alignment of molecular structures: Maximizing electrostatic and steric overlap
inferredcites →https://doi.org/10.1016/j.neunet.2005.07.009openalex-snapshot
Graph kernels for chemical informatics
inferredcites →https://doi.org/10.1016/s0169-7439(01)00155-1openalex-snapshot
PLS-regression: a basic tool of chemometrics
inferredcites →https://doi.org/10.1021/ja00066a004openalex-snapshot
3D-QSAR of angiotensin-converting enzyme and thermolysin inhibitors: a comparison of CoMFA models based on deduced and experimentally determined active site geometries
inferredcites →https://doi.org/10.1021/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
inferredcites →https://doi.org/10.1021/jm00050a010openalex-snapshot
Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity
inferredcites →https://doi.org/10.1021/jm000941mopenalex-snapshot
GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jm049113+openalex-snapshot
Anchor−GRIND: Filling the Gap between Standard 3D QSAR and the GRid-INdependent Descriptors
inferredcites →https://doi.org/10.1021/jm0497141openalex-snapshot
A Comparison of Methods for Modeling Quantitative Structure−Activity Relationships
inferredcites →https://doi.org/10.1023/a:1008026308790openalex-snapshot
EVA: A new theoretically based molecular descriptor for use in QSAR/QSPR analysis
inferredcites →https://doi.org/10.1080/00401706.1999.10485951openalex-snapshot
Statistical Learning Theory
inferredcites →https://doi.org/10.1162/neco.2006.18.6.1472openalex-snapshot
Support Vector Machines for Dyadic Data
inferredcites →https://doi.org/10.1162/neco.2008.20.1.271openalex-snapshot
An SMO Algorithm for the Potential Support Vector Machine
inferredcites →https://doi.org/10.7551/mitpress/7443.001.0001openalex-snapshot
Predicting Structured Data

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9781118346990.ch8openalex-snapshot
Graph Kernels
inferred← citeshttps://doi.org/10.1002/minf.200900080openalex-snapshot
Graph Kernels for Molecular Similarity
inferred← citeshttps://doi.org/10.1002/minf.201000120openalex-snapshot
Boltzmann‐Enhanced Flexible Atom‐Pair Kernel with Dynamic Dimension Reduction
inferred← citeshttps://doi.org/10.1007/s10822-016-0008-zopenalex-snapshot
Bayesian molecular design with a chemical language model
inferred← citeshttps://doi.org/10.1016/j.cmpb.2014.08.009openalex-snapshot
Drug/nondrug classification using Support Vector Machines with various feature selection strategies
inferred← citeshttps://doi.org/10.1016/j.neucom.2010.03.008openalex-snapshot
Graph kernels for chemical compounds using topological and three-dimensional local atom pair environments
inferred← citeshttps://doi.org/10.1021/ci200409xopenalex-snapshot
Machine Learning Methods for Property Prediction in Chemoinformatics:Quo Vadis?
inferred← citeshttps://doi.org/10.1021/ci900367jopenalex-snapshot
A Maximum Common Subgraph Kernel Method for Predicting the Chromosome Aberration Test
inferred← citeshttps://doi.org/10.1021/ci900419kopenalex-snapshot
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
inferred← citeshttps://doi.org/10.1038/s41467-024-49372-0openalex-snapshot
Topological regression as an interpretable and efficient tool for quantitative structure-activity relationship modeling
inferred← citeshttps://doi.org/10.1039/d1sm00725dopenalex-snapshot
Data-driven algorithms for inverse design of polymers
inferred← citeshttps://doi.org/10.1063/5.0157644openalex-snapshot
Discovery of structure–property relations for molecules via hypothesis-driven active learning over the chemical space
inferred← citeshttps://doi.org/10.1063/5.0282700openalex-snapshot
Active deep kernel learning of molecular properties from structural embeddings
inferred← citeshttps://doi.org/10.1109/bibm.2009.60openalex-snapshot
Neural Grammar Networks in QSAR Chemistry
inferred← citeshttps://doi.org/10.1186/1471-2105-11-s8-s4openalex-snapshot
Classifying and scoring of molecules with the NGN: new datasets, significance tests, and generalization
inferred← citeshttps://doi.org/10.1186/1758-2946-4-29openalex-snapshot
Fast rule-based bioactivity prediction using associative classification mining
inferred← citeshttps://doi.org/10.14279/depositonce-2052openalex-snapshot
Machine Learning Methods for Life Sciences: Intelligent Data Analysis in Bio- and Chemoinformatics
inferred← citeshttps://doi.org/10.1517/17460441.2014.866943openalex-snapshot
Support vector machines for drug discovery
inferred← citeshttps://doi.org/10.2174/97816080518301120101openalex-snapshot
Chemoinformatics: Directions Toward Combating Neglected Diseases
inferred← citeshttps://doi.org/10.2174/978160805183011201010033openalex-snapshot
Quantitative Structure Activity Analysis of Leishmanicidal Compounds
inferred← citeshttps://doi.org/10.3389/fenvs.2015.00080openalex-snapshot
DeepTox: Toxicity Prediction using Deep Learning
inferred← citeshttps://doi.org/10.5936/csbj.201302004openalex-snapshot
COMPARISON AND ENUMERATION OF CHEMICAL GRAPHS
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.