On the public citation graph

Use of Statistical and Neural Net Approaches in Predicting Toxicity of Chemicals

0 signed · 113 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/elps.1150191423openalex-snapshot
Differential expression of cytosolic proteins in the rat kidney cortex and medulla: Preliminary proteomics
inferredcites →https://doi.org/10.1002/etc.5620030301openalex-snapshot
STRUCTURE-ACTIVITY RELATIONSHIP STUDIES ON THE TOXICITIES OF BENZENE DERIVATIVES: I. AN ADDITIVITY MODEL
inferredcites →https://doi.org/10.1002/jcc.540050612openalex-snapshot
Discrimination of isomeric structures using information theoretic topological indices
inferredcites →https://doi.org/10.1002/jps.2600760325openalex-snapshot
Molecular Connectivity in Structure–activity Analysis
inferredcites →https://doi.org/10.1006/geno.1998.5354openalex-snapshot
Profiling Expression Patterns and Isolating Differentially Expressed Genes by cDNA Microarray System with Colorimetry Detection
inferredcites →https://doi.org/10.1006/taap.1996.0059openalex-snapshot
The Effects of Peroxisome Proliferators on Protein Abundances in Mouse Liver
inferredcites →https://doi.org/10.1016/0009-2614(82)80009-2openalex-snapshot
Highly discriminating distance-based topological index
inferredcites →https://doi.org/10.1016/0045-6535(95)00119-sopenalex-snapshot
Assessment of developmental toxicity potential of chemicals by quantitative structure-toxicity relationship models
inferredcites →https://doi.org/10.1016/0045-6535(95)00122-oopenalex-snapshot
Predicting mutagenicity of chemicals using topological and quantum chemical parameters: A similarity based study
inferredcites →https://doi.org/10.1016/0160-4120(91)90297-4openalex-snapshot
Practical applications of quantitative structure-activity relationships (QSAR) in environmental chemistry and toxicology
inferredcites →https://doi.org/10.1016/0166-218x(88)90004-2openalex-snapshot
Determining structural similarity of chemicals using graph-theoretic indices
inferredcites →https://doi.org/10.1016/b978-0-08-030156-3.50138-7openalex-snapshot
NEIGHBORHOOD COMPLEXITIES AND SYMMETRY OF CHEMICAL GRAPHS AND THEIR BIOLOGICAL APPLICATIONS
inferredcites →https://doi.org/10.1021/cen-v076n039.p020openalex-snapshot
PESTICIDE LAW OFF TO ROUGH START
inferredcites →https://doi.org/10.1021/cen-v076n044.p019openalex-snapshot
Pact Triggers Tests
inferredcites →https://doi.org/10.1021/ci960024iopenalex-snapshot
A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol/Water Partition Coefficient
inferredcites →https://doi.org/10.1021/ci960176dopenalex-snapshot
Use of Topostructural, Topochemical, and Geometric Parameters in the Prediction of Vapor Pressure: A Hierarchical QSAR Approach
inferredcites →https://doi.org/10.1021/ci9800716openalex-snapshot
Prediction of Complement-Inhibitory Activity of Benzamidines Using Topological and Geometric Parameters
inferredcites →https://doi.org/10.1021/ja00856a001openalex-snapshot
Characterization of molecular branching
inferredcites →https://doi.org/10.1021/ja00856a002openalex-snapshot
Importance of nonbonded attraction in the stereochemistry of the SN2' reaction
inferredcites →https://doi.org/10.1021/ja01193a005openalex-snapshot
Structural Determination of Paraffin Boiling Points
inferredcites →https://doi.org/10.1021/ja01193a006openalex-snapshot
Raman Spectra of Aqueous Solutions of Potassium Thiocyanate
inferredcites →https://doi.org/10.1038/ng1296-457openalex-snapshot
Use of a cDNA microarray to analyse gene expression patterns in human cancer
inferredcites →https://doi.org/10.1063/1.434593openalex-snapshot
Information theory, distance matrix, and molecular branching
inferredcites →https://doi.org/10.1080/10629369708039122openalex-snapshot
Characterization of Molecular Structures Using Topological Indices
inferredcites →https://doi.org/10.1080/10629369708039127openalex-snapshot
Predicting Acute Toxicity (LC50) of Benzene Derivatives Using Theoretical Molecular Descriptors: A Hierarchical QSAR Approach
inferredcites →https://doi.org/10.1080/10629369908039162openalex-snapshot
Prediction of the Deral Penetration of Polycyclic Aromatic Hydrocarbons (PAHs): A hierarchical Qsar Approach
inferredcites →https://doi.org/10.1080/10629369908039172openalex-snapshot
Assessment of the Mutagenicity of Aromatic Amines from Theoretical Structural Parameters: A Hierarchical Approach
inferredcites →https://doi.org/10.1090/dimacs/051openalex-snapshot
Discrete Mathematical Chemistry
inferredcites →https://doi.org/10.1126/science.270.5235.467openalex-snapshot
Quantitative Monitoring of Gene Expression Patterns with a Complementary DNA Microarray
inferredcites →https://doi.org/10.1126/science.270.5235.470openalex-snapshot
Gene Therapy in Peripheral Blood Lymphocytes and Bone Marrow for ADA − Immunodeficient Patients
inferredcites →https://doi.org/10.1201/9781482296945openalex-snapshot
Topological Indices and Related Descriptors in QSAR and QSPR
inferredcites →https://doi.org/10.1289/ehp.9087183openalex-snapshot
Mode of Action and the Assessment of Chemical Hazards in the Presence of Limited Data: Use of Structure-Activity Relationships (SAR) under TSCA, Section 5
inferredcites →https://doi.org/10.1351/pac198855020199openalex-snapshot
Topological indices based on topological distances in molecular graphs

What points at this work

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

inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/chin.200041201openalex-snapshot
ChemInform Abstract: Use of Statistical and Neutral Net Approaches in Predicting Toxicity of Chemicals.
inferred← citeshttps://doi.org/10.1002/cjoc.20030210910openalex-snapshot
Multi‐objective modeling and assessment of partition properties: A GA‐based quantitative structure‐property relationship approach
inferred← citeshttps://doi.org/10.1002/jcc.20826openalex-snapshot
Unified QSAR and network‐based computational chemistry approach to antimicrobials, part 1: Multispecies activity models for antifungals
inferred← citeshttps://doi.org/10.1002/qsar.200330864openalex-snapshot
QSTR with Extended Topochemical Atom Indices. 3. Toxicity of Nitrobenzenes to Tetrahymena pyriformis
inferred← citeshttps://doi.org/10.1002/qsar.200530128openalex-snapshot
Modelling Toxicity using Molecular Quantum Similarity Measures
inferred← citeshttps://doi.org/10.1002/qsar.200530172openalex-snapshot
QSTR with Extended Topochemical Atom Indices. 7. QSAR of Substituted Benzenes toSaccharomyces cerevisiae
inferred← citeshttps://doi.org/10.1002/qua.26627openalex-snapshot
Wiener polarity index and related molecular topological descriptors of titanium oxide nanotubes
inferred← citeshttps://doi.org/10.1002/qua.26669openalex-snapshot
On Szeged‐type indices of titanium oxide TiO2 nanotubes
inferred← citeshttps://doi.org/10.1002/qua.26796openalex-snapshot
Wiener polarity and similar topological descriptors of some product graphs
inferred← citeshttps://doi.org/10.1002/wcms.1183openalex-snapshot
Machine learning methods in chemoinformatics
inferred← citeshttps://doi.org/10.1007/978-3-031-12413-6_4openalex-snapshot
Exploring Self-supervised Capsule Networks for Improved Classification with Data Scarcity
inferred← citeshttps://doi.org/10.1007/978-3-319-33290-1_5openalex-snapshot
Computational Models
inferred← citeshttps://doi.org/10.1007/978-3-7908-1777-5_21openalex-snapshot
QSPR Analysis of Boiling Point of Chemical Compounds
inferred← citeshttps://doi.org/10.1007/s00214-021-02744-xopenalex-snapshot
Combinatorial enumeration of stereo, chiral and position isomers of polysubstituted halocarbons: applications to machine learning of proton and 35Cl NMR spectroscopy of halocarbons
inferred← citeshttps://doi.org/10.1007/s00894-005-0033-7openalex-snapshot
QSTR with extended topochemical atom (ETA) indices. VI. Acute toxicity of benzene derivatives to tadpoles (Rana japonica)
inferred← citeshttps://doi.org/10.1007/s10910-018-0956-8openalex-snapshot
Distance-based topological indices of nanosheets, nanotubes and nanotori of $$\hbox {SiO}_2$$ SiO 2
inferred← citeshttps://doi.org/10.1007/s10910-019-01079-0openalex-snapshot
Computational combinatorics of hyperplane colorings of 6D-hypercube for all irreducible representations and applications
inferred← citeshttps://doi.org/10.1007/s10910-020-01195-2openalex-snapshot
Biochemical and phylogenetic networks-II: X-trees and phylogenetic trees
inferred← citeshttps://doi.org/10.1007/s10910-022-01438-4openalex-snapshot
Topological characterization of statistically clustered networks for molecular similarity analysis
inferred← citeshttps://doi.org/10.1007/s10953-005-7691-2openalex-snapshot
Correlation of the Solubility Behavior of Crystalline 1-Nitronapthalene in Organic Solvents With the Abraham Solvation Parameter Model
inferred← citeshttps://doi.org/10.1007/s11030-006-9025-5openalex-snapshot
Ecotoxicological modeling and risk assessment using chemometric tools
inferred← citeshttps://doi.org/10.1007/s11030-010-9232-yopenalex-snapshot
Prediction of carcinogenicity for diverse chemicals based on substructure grouping and SVM modeling
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/b978-0-12-820472-6.00015-3openalex-snapshot
Computational and Artificial Intelligence Techniques for Drug Discovery and Administration
inferred← citeshttps://doi.org/10.1016/b978-0-323-85713-0.00023-2openalex-snapshot
Combinatorial and quantum techniques for large data sets: hypercubes and halocarbons
inferred← citeshttps://doi.org/10.1016/b978-1-898563-76-1.50010-xopenalex-snapshot
Applications of Topological Indices in the Property/Bioactivity/Toxicity Prediction of Chemicals
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2013.05.017openalex-snapshot
Predicting acute aquatic toxicity of structurally diverse chemicals in fish using artificial intelligence approaches
inferred← citeshttps://doi.org/10.1016/j.ejmcr.2024.100133openalex-snapshot
Experimental and computational models to understand protein-ligand, metal-ligand and metal-DNA interactions pertinent to targeted cancer and other therapies
inferred← citeshttps://doi.org/10.1016/j.etap.2003.09.001openalex-snapshot
QSARs for chemical mutagens from structure: ridge regression fitting and diagnostics
inferred← citeshttps://doi.org/10.1016/s0039-9140(01)00537-9openalex-snapshot
Non-linear QSAR modeling by using multilayer perceptron feedforward neural networks trained by back-propagation
inferred← citeshttps://doi.org/10.1016/s0166-1280(01)00695-9openalex-snapshot
QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity
inferred← citeshttps://doi.org/10.1016/s0968-0896(01)00375-3openalex-snapshot
QSAR study on toxicity to aqueous organisms using the PI index
inferred← citeshttps://doi.org/10.1016/s0968-0896(02)00228-6openalex-snapshot
QSAR study on narcotic mechanism of action and toxicity: a molecular connectivity approach to Vibrio fischeri toxicity testing
inferred← citeshttps://doi.org/10.1016/s1359-6446(01)01990-0openalex-snapshot
The impact of informatics and computational chemistry on synthesis and screening
inferred← citeshttps://doi.org/10.1016/s1387-2656(08)00005-7openalex-snapshot
Network models in drug discovery and regenerative medicine
inferred← citeshttps://doi.org/10.1016/s1741-8364(04)02402-3openalex-snapshot
Using artificial neural networks to drive virtual screening of combinatorial libraries
inferred← citeshttps://doi.org/10.1021/acs.chas.0c00075openalex-snapshot
Machine Learning and Deep Learning in Chemical Health and Safety: A Systematic Review of Techniques and Applications
inferred← citeshttps://doi.org/10.1021/acs.jcim.2c01422openalex-snapshot
The (Re)-Evolution of Quantitative Structure–Activity Relationship (QSAR) Studies Propelled by the Surge of Machine Learning Methods
inferred← citeshttps://doi.org/10.1021/acsomega.0c03048openalex-snapshot
Comparison of Machine Learning Models on Performance of Single- and Dual-Type Electrochromic Devices
inferred← citeshttps://doi.org/10.1021/ci0001177openalex-snapshot
QSAR with Few Compounds and Many Features
inferred← citeshttps://doi.org/10.1021/ci020054nopenalex-snapshot
Prediction of Cellular Toxicity of Halocarbons from Computed Chemodescriptors: A Hierarchical QSAR Approach
inferred← citeshttps://doi.org/10.1021/ci034043lopenalex-snapshot
Development of a Method for Evaluating Drug-Likeness and Ease of Synthesis Using a Data Set in Which Compounds Are Assigned Scores Based on Chemists' Intuition
inferred← citeshttps://doi.org/10.1021/ci050439gopenalex-snapshot
An Atlas of Forecasted Molecular Data. 2. Vibration Frequencies of Main-Group and Transition-Metal Neutral Gas-Phase Diatomic Molecules in the Ground State
inferred← citeshttps://doi.org/10.1021/ci800142dopenalex-snapshot
Comparative Study of Machine-Learning and Chemometric Tools for Analysis of In-Vivo High-Throughput Screening Data
inferred← citeshttps://doi.org/10.1021/jm0495529openalex-snapshot
Rapid Prediction of Chemical Metabolism by Human UDP-glucuronosyltransferase Isoforms Using Quantum Chemical Descriptors Derived with the Electronegativity Equalization Method
inferred← citeshttps://doi.org/10.1021/tx900184ropenalex-snapshot
Structural Insights into the Binding of Uranyl with Human Serum Protein Apotransferrin Structure and Spectra of Protein−Uranyl Interactions
inferred← citeshttps://doi.org/10.1039/b301032popenalex-snapshot
The air–liquid interface of benzene, toluene, m-xylene, and mesitylene: a sum frequency, Raman, and infrared spectroscopic study
inferred← citeshttps://doi.org/10.1039/bk9781849730044-00148openalex-snapshot
Molecular Descriptors from Two-Dimensional Chemical Structure
inferred← citeshttps://doi.org/10.1039/c5ra12825kopenalex-snapshot
Predicting aquatic toxicities of benzene derivatives in multiple test species using local, global and interspecies QSTR modeling approaches
inferred← citeshttps://doi.org/10.1061/(asce)cf.1943-5509.0001471openalex-snapshot
Evaluation of the Deterioration of Ceramic Claddings by Application of Artificial Neural Networks
inferred← citeshttps://doi.org/10.1080/10406638.2018.1484778openalex-snapshot
Topological Characterization of Coronoid Polycyclic Aromatic Hydrocarbons
inferred← citeshttps://doi.org/10.1080/10629360903568697openalex-snapshot
QSAR with quantum topological molecular similarity indices: toxicity of aromatic aldehydes toTetrahymena pyriformis
inferred← citeshttps://doi.org/10.1109/access.2019.2944860openalex-snapshot
On Distance-Based Topological Descriptors of Subdivision Vertex-Edge Join of Three Graphs
inferred← citeshttps://doi.org/10.1109/bibm.2010.5706653openalex-snapshot
Computational prediction of toxicity
inferred← citeshttps://doi.org/10.1109/wcica.2002.1021481openalex-snapshot
Processing of unperfected experimental data
inferred← citeshttps://doi.org/10.11190/jer.11.111openalex-snapshot
Development of the Chemical Safety Database System CAESAR
inferred← citeshttps://doi.org/10.1142/s021963360700309xopenalex-snapshot
TOPOCHEMICAL MODELS FOR THE PREDICTION OF LIPOPHILICITY OF 1,3-DISUBSTITUTED PROPAN-2-ONE ANALOGS
inferred← citeshttps://doi.org/10.1371/journal.pone.0316376openalex-snapshot
Exploring metric dimension of nanosheets, nanotubes, and nanotori of SiO2
inferred← citeshttps://doi.org/10.1385/mb:27:2:139openalex-snapshot
Neural Networks as Robust Tools in Drug Lead Discovery and Development
inferred← citeshttps://doi.org/10.1504/ijdmb.2013.056082openalex-snapshot
Computational prediction of toxicity
inferred← citeshttps://doi.org/10.1515/mgmc-2021-0011openalex-snapshot
Szeged-type indices of subdivision vertex-edge join (SVE-join)
inferred← citeshttps://doi.org/10.1515/pac-2020-1202openalex-snapshot
Structure, electronic and optical properties of chalcopyrite-type nano-clusters XFeY2 (X=Cu, Ag, Au; Y=S, Se, Te): a density functional theory study
inferred← citeshttps://doi.org/10.21236/ada374363openalex-snapshot
Quantitative Characterization of Molecular Similarity Spaces: Tools for Computational Toxicology
inferred← citeshttps://doi.org/10.21236/ada434129openalex-snapshot
Use of Biodescriptors and Chemodescriptors in Predictive Toxicology: A Mathematical/Computational Approach
inferred← citeshttps://doi.org/10.2165/00003088-200342060-00002openalex-snapshot
Metabolic Stability for Drug Discovery and Development
inferred← citeshttps://doi.org/10.2174/1381612828666220608141049openalex-snapshot
Application of Artificial Intelligence in Drug Discovery
inferred← citeshttps://doi.org/10.2174/1568026619666190304152704openalex-snapshot
Quantum Molecular Dynamics, Topological, Group Theoretical and Graph Theoretical Studies of Protein-Protein Interactions
inferred← citeshttps://doi.org/10.2477/jccj.1.23openalex-snapshot
Prediction of Carcinogenicity of Chlorine-containing Organic Compounds by Neural Network.
inferred← citeshttps://doi.org/10.2477/jccj.4.89openalex-snapshot
Neural Network Prediction of Carcinogenicity of Diverse Organic Compounds
inferred← citeshttps://doi.org/10.2964/jsik.16.3_63openalex-snapshot
Toxicity Information and Its QSAR Prediction of Chemical Substances
inferred← citeshttps://doi.org/10.3390/biomedicines8030048openalex-snapshot
Cytotoxicity of Different Nano Composite Resins on Human Gingival and Periodontal Ligament Fibroblast Cell Lines: An In Vitro Study
inferred← citeshttps://doi.org/10.3390/ijms19082358openalex-snapshot
Machine Learning Based Toxicity Prediction: From Chemical Structural Description to Transcriptome Analysis
inferred← citeshttps://doi.org/10.3390/sym12121992openalex-snapshot
Topological and Thermodynamic Entropy Measures for COVID-19 Pandemic through Graph Theory
inferred← citeshttps://doi.org/10.3390/sym13101850openalex-snapshot
Symmetry, Combinatorics, Artificial Intelligence, Music and Spectroscopy
inferred← citeshttps://doi.org/10.3390/sym14010034openalex-snapshot
Symmetry and Combinatorial Concepts for Cyclopolyarenes, Nanotubes and 2D-Sheets: Enumerations, Isomers, Structures Spectra & Properties
inferred← citeshttps://doi.org/10.4018/978-1-4666-4010-8.ch005openalex-snapshot
Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds
inferred← citeshttps://doi.org/10.4018/ijcce.2011010105openalex-snapshot
Toxicity of Halogen, Sulfur and Chlorinated Aromatic Compounds
inferred← citeshttps://doi.org/10.4155/fmc.11.11openalex-snapshot
Informatics, Machine Learning and Computational Medicinal Chemistry
inferred← citeshttps://doi.org/10.54021/seesv6n1-015openalex-snapshot
A genetic algorithm-multiple linear regression model to quantify the toxicity of nitrobenzene derivatives
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.