On the public citation graph

Three-Dimensional Quantitative Structure−Activity Relationships from Molecular Similarity Matrices and Genetic Neural Networks. 2. Applications

https://doi.org/10.1021/jm970488n
0 signed · 86 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 See whether every reference in this work resolves to a known work and none has been retracted — and get a dated CiteStamped badge you can embed.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/(sici)1096-987x(199608)17:11<1296::aid-jcc2>3.0.co;2-hopenalex-snapshot
Different electrostatic descriptors in comparative molecular field analysis: A comparison of molecular electrostatic and coulomb potentials
inferredcites →https://doi.org/10.1002/9783527615452openalex-snapshot
Chemometric Methods in Molecular Design
inferredcites →https://doi.org/10.1002/jcc.540100109openalex-snapshot
Correlation analysis of substituent effects on the acidity of benzoic acids by the AM1 method
inferredcites →https://doi.org/10.1002/jps.2600690938openalex-snapshot
Substituent Constants for Correlation Analysis in Chemistry and Biology.
inferredcites →https://doi.org/10.1006/jmbi.1993.1380openalex-snapshot
Crystallographic Binding Studies on the Allosteric Inhibitor Glucose-6-Phosphate to T State Glycogen Phosphorylase b
inferredcites →https://doi.org/10.1006/jmbi.1995.0665openalex-snapshot
The Binding of 2-Deoxy-D-glucose 6-Phosphate to Glycogen Phosphorylaseb: Kinetic and Crystallographic Studies
inferredcites →https://doi.org/10.1007/bf00124466openalex-snapshot
Determination of receptor-bound drug conformations by QSAR using flexible fitting to derive a molecular similarity index
inferredcites →https://doi.org/10.1007/bf03188920openalex-snapshot
The design of potential antidiabetic drugs: experimental investigation of a number of β-D-glucose analogue inhibitors of glycogen phosphorylase
inferredcites →https://doi.org/10.1016/0009-2797(82)90045-xopenalex-snapshot
Binding of polychlorinated biphenyls classified as either phenobarbitone-, 3-methylcholanthrene- or mixed-type inducers to cytosolic Ah receptor
inferredcites →https://doi.org/10.1016/0040-4039(95)01733-xopenalex-snapshot
Specific Inhibition of Glycogen Phosphorylase by a Spirodiketopiperazine at the Anomeric position of Glucopyranose
inferredcites →https://doi.org/10.1021/bi00185a011openalex-snapshot
Design of Inhibitors of Glycogen Phosphorylase: A Study of .alpha.- and .beta.-C-Glucosides and 1-Thio-.beta.-D-glucose Compounds
inferredcites →https://doi.org/10.1021/bi00500a006openalex-snapshot
Analysis of sequence homologies in plant and bacterial pyruvate phosphate dikinase, enzyme I of the bacterial phospoenolpyruvate:sugar phosphotransferase system and other PEP-utilizing enzymes. Identification of potential catalytic and regulatory motifs
inferredcites →https://doi.org/10.1021/ja00040a054openalex-snapshot
Design of chromophoric molecular assemblies with large second-order optical nonlinearities. A theoretical analysis of the role of intermolecular interactions
inferredcites →https://doi.org/10.1021/ja00134a023openalex-snapshot
Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks
inferredcites →https://doi.org/10.1021/jm00042a012openalex-snapshot
Comparative Molecular Field Analysis Using GRID Force-Field and GOLPE Variable Selection Methods in a Study of Inhibitors of Glycogen Phosphorylase b
inferredcites →https://doi.org/10.1021/jm00048a012openalex-snapshot
Analysis of linear and nonlinear QSAR data using neural networks
inferredcites →https://doi.org/10.1021/jm00052a014openalex-snapshot
Pentamidine Congeners. 2. 2-Butene-Bridged Aromatic Diamidines and Diimidazolines as Potential Anti-Pneumocystis carinii Pneumonia Agents
inferredcites →https://doi.org/10.1021/jm00098a010openalex-snapshot
Comparative molecular field analysis of polyhalogenated dibenzo-p-dioxins, dibenzofurans, and biphenyls
inferredcites →https://doi.org/10.1021/jm00111a021openalex-snapshot
2-(Oxadiazolyl)- and 2-(thiazolyl)imidazo[1,2-a]pyrimidines as agonists and inverse agonists at benzodiazepine receptors
inferredcites →https://doi.org/10.1021/jm00113a022openalex-snapshot
Applications of neural networks in quantitative structure-activity relationships of dihydrofolate reductase inhibitors
inferredcites →https://doi.org/10.1021/jm00145a002openalex-snapshot
A computational procedure for determining energetically favorable binding sites on biologically important macromolecules
inferredcites →https://doi.org/10.1021/jm00163a045openalex-snapshot
1-(Substituted-benzyl)imidazole-2(3H)thione inhibitors of dopamine .beta.-hydroxylase
inferredcites →https://doi.org/10.1021/jm00171a007openalex-snapshot
Synthetic and computer-assisted analyses of the pharmacophore for the benzodiazepine receptor inverse agonist site
inferredcites →https://doi.org/10.1021/jm00196a017openalex-snapshot
Chance factors in studies of quantitative structure-activity relationships
inferredcites →https://doi.org/10.1021/jm950589qopenalex-snapshot
Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
inferredcites →https://doi.org/10.1021/jo00008a029openalex-snapshot
Perimeter model and magnetic circular dichroism of porphyrin analogs

What points at this work

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

inferred← citeshttps://doi.org/10.1002/(sici)1098-1128(199905)19:3<249::aid-med4>3.0.co;2-0openalex-snapshot
Application of neural networks in structure-activity relationships
inferred← citeshttps://doi.org/10.1002/9783527613106.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/9783527613168.ch12openalex-snapshot
New Techniques and Future Directions
inferred← citeshttps://doi.org/10.1002/9783527613168.ch5openalex-snapshot
Quantitative Structure‐Activity Relationships
inferred← citeshttps://doi.org/10.1002/9783527619375.ch13bopenalex-snapshot
WOMBAT and WOMBAT‐PK: Bioactivity Databases for Lead and Drug Discovery
inferred← citeshttps://doi.org/10.1002/jcc.21145openalex-snapshot
Notes on quantitative structure‐properties relationships (QSPR) (1): A discussion on a QSPR dimensionality paradox (QSPR DP) and its quantum resolution
inferred← citeshttps://doi.org/10.1002/qsar.200310004openalex-snapshot
Genetic Neural Networks for Functional Approximation
inferred← citeshttps://doi.org/10.1007/7081_025openalex-snapshot
Predicting Pharmacological and Toxicological Activity of Heterocyclic Compounds Using QSAR and Molecular Modeling
inferred← citeshttps://doi.org/10.1007/978-3-662-47371-9_7openalex-snapshot
Squiggly Lines and Random Dots—You Can Fit Anything with a Nonlinear Model
inferred← citeshttps://doi.org/10.1007/978-81-322-2809-7_10openalex-snapshot
Mathematical Chemodescriptors and Biodescriptors: Background and Their Applications in the Prediction of Bioactivity/Toxicity of Chemicals
inferred← citeshttps://doi.org/10.1007/s00044-008-9111-6openalex-snapshot
2D-QSAR of non-benzodiazepines to benzodiazepines receptor (BZR)
inferred← citeshttps://doi.org/10.1007/s00216-005-0085-7openalex-snapshot
QSAR study on the Ah receptor-binding affinities of polyhalogenated dibenzo-p-dioxins using net atomic-charge descriptors and a radial basis neural network
inferred← citeshttps://doi.org/10.1007/s10822-005-9012-4openalex-snapshot
Prediction of plasma protein binding of drugs using Kier–Hall valence connectivity indices and 4D-fingerprint molecular similarity analyses
inferred← citeshttps://doi.org/10.1007/s10822-005-9022-2openalex-snapshot
Novel approach to evolutionary neural network based descriptor selection and QSAR model development
inferred← citeshttps://doi.org/10.1007/s10822-008-9217-4openalex-snapshot
2D and 3D QSAR studies of diarylpyrimidine HIV-1 reverse transcriptase inhibitors
inferred← citeshttps://doi.org/10.1007/s11030-010-9234-9openalex-snapshot
Genetic algorithm optimization in drug design QSAR: Bayesian-regularized genetic neural networks (BRGNN) and genetic algorithm-optimized support vectors machines (GA-SVM)
inferred← citeshttps://doi.org/10.1016/b978-0-32-390257-1.00025-5openalex-snapshot
Quantum similarity description of a unique classical and quantum QSPR algorithm in molecular spaces: the connection with Boolean hypercubes, algorithmic intelligence, and Gödel's incompleteness theorems
inferred← citeshttps://doi.org/10.1016/j.bmc.2004.10.025openalex-snapshot
CP-MLR directed QSAR studies on the antimycobacterial activity of functionalized alkenols—topological descriptors in modeling the activity
inferred← citeshttps://doi.org/10.1016/j.bmc.2005.08.035openalex-snapshot
Constructing plasma protein binding model based on a combination of cluster analysis and 4D-fingerprint molecular similarity analyses
inferred← citeshttps://doi.org/10.1016/j.bmcl.2010.09.019openalex-snapshot
Identification of optimum computational protocols for modeling the aryl hydrocarbon receptor (AHR) and its interaction with ligands
inferred← citeshttps://doi.org/10.1016/j.chemosphere.2006.10.057openalex-snapshot
QSARs for the toxicity of polychlorinated dibenzofurans through DFT-calculated descriptors of polarizabilities, hyperpolarizabilities and hyper-order electric moments
inferred← citeshttps://doi.org/10.1016/j.compbiolchem.2018.07.004openalex-snapshot
Toxicity of polyhalogenated dibenzo-p-furans in the light of nucleic acid bases interaction
inferred← citeshttps://doi.org/10.1016/j.ejmech.2008.01.030openalex-snapshot
3D and quantum QSAR of non-benzodiazepine compounds
inferred← citeshttps://doi.org/10.1016/j.etap.2011.09.001openalex-snapshot
Docking and 3D-QSAR studies on the Ah receptor binding affinities of polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs)
inferred← citeshttps://doi.org/10.1016/j.molstruc.2004.08.012openalex-snapshot
Comparison of steroid substrates and inhibitors of P-glycoprotein by 3D-QSAR analysis
inferred← citeshttps://doi.org/10.1016/s0003-2670(98)00777-6openalex-snapshot
The neural network MolNet prediction of alkane enthalpies
inferred← citeshttps://doi.org/10.1016/s0006-2952(02)01074-2openalex-snapshot
Predicting plasma protein binding of drugs: a new approach
inferred← citeshttps://doi.org/10.1016/s0045-6535(99)00525-1openalex-snapshot
Electronic eigenvalue (EEVA): a new QSAR/QSPR descriptor for electronic substituent effects based on molecular orbital energies. A QSAR approach to the Ah receptor binding affinity of polychlorinated biphenyls (PCBs), dibenzo-p-dioxins (PCDDs) and dibenzofurans (PCDFs)
inferred← citeshttps://doi.org/10.1016/s0065-2725(01)80012-xopenalex-snapshot
Indolocarhazoles
inferred← citeshttps://doi.org/10.1016/s0079-6107(98)00026-1openalex-snapshot
Artificial neural networks for computer-based molecular design
inferred← citeshttps://doi.org/10.1016/s0169-7439(00)00109-xopenalex-snapshot
Application of nonlinear and local modeling methods for 3D QSAR study of class I antiarrhythmics
inferred← citeshttps://doi.org/10.1016/s0223-5234(99)80052-xopenalex-snapshot
Neural networks in drug discovery: have they lived up to their promise?
inferred← citeshttps://doi.org/10.1016/s0303-2647(01)00192-7openalex-snapshot
Quantitative structure–activity relationships by evolved neural networks for the inhibition of dihydrofolate reductase by pyrimidines
inferred← citeshttps://doi.org/10.1016/s0968-0896(01)00196-1openalex-snapshot
The 3-D QSAR study of anticancer 1-N-substituted imidazo- and pyrrolo-quinoline-4,9-dione derivatives by CoMFA and CoMSIA
inferred← citeshttps://doi.org/10.1016/s1359-6446(98)01219-7openalex-snapshot
Evolutionary combinatorial chemistry: application of genetic algorithms
inferred← citeshttps://doi.org/10.1016/s1367-5931(98)80013-6openalex-snapshot
Applications of genetic algorithms in molecular diversity
inferred← citeshttps://doi.org/10.1016/s1570-7946(03)80625-9openalex-snapshot
Computer-aided molecular design with BP-ANN and global optimization algorithm
inferred← citeshttps://doi.org/10.1021/cr0304469openalex-snapshot
Comparative Quantitative Structure−Activity Relationship Studies (QSAR) on Non-Benzodiazepine Compounds Binding to Benzodiazepine Receptor (BzR)
inferred← citeshttps://doi.org/10.1021/ja016913qopenalex-snapshot
Understanding the Congener-Specific Toxicity in Polychlorinated Dibenzo-p-dioxins: Chlorination Pattern and Molecular Quadrupole Moment
inferred← citeshttps://doi.org/10.1021/jp8010712openalex-snapshot
Quantum-Chemical Foundations of the Topological Substructural Molecular Design
inferred← citeshttps://doi.org/10.1023/a:1008073215919openalex-snapshot
A comparative study of ligand-receptor complex binding affinity prediction methods based on glycogen phosphorylase inhibitors
inferred← citeshttps://doi.org/10.1023/a:1011945119287openalex-snapshot
Evaluation of designed ligands by a multiple screening method: Application to glycogen phosphorylase inhibitors constructed with a variety of approaches
inferred← citeshttps://doi.org/10.1023/b:jcam.0000021882.99270.4copenalex-snapshot
Protein-ligand binding free energy estimation using molecular mechanics and continuum electrostatics. Application to HIV-1 protease inhibitors
inferred← citeshttps://doi.org/10.1023/b:jcam.0000030036.67468.7copenalex-snapshot
Quantitative structure–activity relationships from optimised ab initio bond lengths: steroid binding affinity and antibacterial activity of nitrofuran derivatives
inferred← citeshttps://doi.org/10.1023/b:modi.0000006753.11500.37openalex-snapshot
Artificial neural networks: Non-linear QSAR studies of HEPT derivatives as HIV-1 reverse transcriptase inhibitors
inferred← citeshttps://doi.org/10.1057/palgrave.jors.2602132openalex-snapshot
AI and OR in management of operations: history and trends
inferred← citeshttps://doi.org/10.1080/10629369908039164openalex-snapshot
EEVA (Electronic Eigenvalue): A New QSAR/QSPR Descriptor for Electronic Substituent Effects Based on Molecular Orbital Energies
inferred← citeshttps://doi.org/10.1080/1062936x.2011.623320openalex-snapshot
QSAR models of cytochrome P450 enzyme 1A2 inhibitors using CoMFA, CoMSIA and HQSAR
inferred← citeshttps://doi.org/10.1080/1062936x.2015.1018941openalex-snapshot
The application of machine learning to the modelling of percutaneous absorption: An overview and guide
inferred← citeshttps://doi.org/10.1080/10659360500468419openalex-snapshot
Improving the performance of SOMFA by use of standard multivariate methods
inferred← citeshttps://doi.org/10.1109/cec.2002.1006233openalex-snapshot
Evolved neural networks for quantitative structure-activity relationships of anti-HIV compounds
inferred← citeshttps://doi.org/10.1111/cbdd.12743openalex-snapshot
Computational Study and Modified Design of Selective Dopamine D 3Receptor Agonists
inferred← citeshttps://doi.org/10.1111/j.1600-0587.2008.05512.xopenalex-snapshot
Satellite image texture and a vegetation index predict avian biodiversity in the Chihuahuan Desert of New Mexico
inferred← citeshttps://doi.org/10.1124/dmd.104.000364openalex-snapshot
QUANTITATIVE STRUCTURE-METABOLISM RELATIONSHIP MODELING OF METABOLIC N-DEALKYLATION REACTION RATES
inferred← citeshttps://doi.org/10.1186/s13321-016-0122-xopenalex-snapshot
Examining the predictive accuracy of the novel 3D N-linear algebraic molecular codifications on benchmark datasets
inferred← citeshttps://doi.org/10.1201/b14139-6openalex-snapshot
Quantitative Structure–Toxicity Relationships Using Chemodescriptors and Biodescriptors
inferred← citeshttps://doi.org/10.1371/journal.pone.0065590openalex-snapshot
Prediction of Cross-Recognition of Peptide-HLA A2 by Melan-A-Specific Cytotoxic T Lymphocytes Using Three-Dimensional Quantitative Structure-Activity Relationships
inferred← citeshttps://doi.org/10.3390/molecules24091698openalex-snapshot
Analysis and Comparison of Vector Space and Metric Space Representations in QSAR Modeling
inferred← citeshttps://doi.org/10.5012/bkcs.2002.23.3.417openalex-snapshot
Comparison of QSAR Methods (CoMFA, CoMSIA, HQSAR) of Anticancer 1-N-Substituted Imidazoquinoline-4,9-dione Derivatives
inferred← citeshttps://doi.org/10.7897/2277-4343.064100openalex-snapshot
CP-MLR DIRECTED QSAR RATIONALES FOR THE ACTIVITY PROFILE OF (PHENYLPIPERAZINYL-ALKYL) OXINDOLES AS 5-HT7 RECEPTOR LIGANDS
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.