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GRID Formalism for the Comparative Molecular Surface Analysis: Application to the CoMFA Benchmark Steroids, Azo Dyes, and HEPT Derivatives
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
inferredcites →https://doi.org/10.1002/qsar.19950140506openalex-snapshot
Structure‐Affinity Binding Relationships by Principal‐Component‐Regression Analysis of Anthraquinone Dyes
inferredcites →https://doi.org/10.1007/978-3-642-88163-3openalex-snapshot
Self-Organization and Associative Memory
inferredcites →https://doi.org/10.1016/0003-2670(96)00150-xopenalex-snapshot
Detection of inhomogeneities in sets of NIR spectra
inferredcites →https://doi.org/10.1016/0143-7208(94)87003-9openalex-snapshot
A QSAR study of the adsorption by cellulose fibre of anthraquinone vat dyes
inferredcites →https://doi.org/10.1016/0143-7208(95)00057-mopenalex-snapshot
Structure-affinity binding relationships of some 4-aminoazobenzene derivatives for cellulose fibre
inferredcites →https://doi.org/10.1016/0143-7208(96)00001-0openalex-snapshot
Lipophilicity in dye-cellulose fibre binding
inferredcites →https://doi.org/10.1016/0302-4598(84)87021-xopenalex-snapshot
Steric Effects in Drug Design.
inferredcites →https://doi.org/10.1016/j.bmc.2003.12.031openalex-snapshot
QSAR study on some anti-HIV HEPT analogues using physicochemical and topological parameters
inferredcites →https://doi.org/10.1016/j.dyepig.2003.11.003openalex-snapshot
Mapping dye pharmacophores by the Comparative Molecular Surface Analysis (CoMSA): application to heterocyclic monoazo dyes
inferredcites →https://doi.org/10.1016/s0097-8485(00)00064-4openalex-snapshot
The comparative molecular surface analysis (COMSA): a novel tool for molecular design
inferredcites →https://doi.org/10.1016/s0097-8485(02)00023-2openalex-snapshot
New molecular surface-based 3D-QSAR method using Kohonen neural network and 3-way PLS
inferredcites →https://doi.org/10.1016/s0143-7208(00)00058-9openalex-snapshot
A review of QSAR for dye affinity for cellulose fibres
inferredcites →https://doi.org/10.1016/s0143-7208(96)00025-3openalex-snapshot
QSAR studies of disperse azo dyes. Towards the negation of the pharmacophore theory of dye-fiber interaction?
inferredcites →https://doi.org/10.1016/s0169-409x(03)00116-9openalex-snapshot
Self-organizing neural networks for pharmacophore mapping
inferredcites →https://doi.org/10.1016/s0169-7439(03)00112-6openalex-snapshot
3D-QSAR study of antifungal N-myristoyltransferase inhibitors by comparative molecular surface analysis
inferredcites →https://doi.org/10.1021/ci0001278openalex-snapshot
3D-Quantitative Structure−Activity Relationships of HEPT Derivatives as HIV-1 Reverse Transcriptase Inhibitors, Based on Ab Initio Calculations
inferredcites →https://doi.org/10.1021/ci010031topenalex-snapshot
The Comparative Molecular Surface Analysis (COMSA) − A Nongrid 3D QSAR Method by a Coupled Neural Network and PLS System: Predicting pKa Values of Benzoic and Alkanoic Acids
inferredcites →https://doi.org/10.1021/ci010086vopenalex-snapshot
Comparative Molecular Field Analysis (CoMFA) of Anionic Azo Dye-Fiber Affinities I: Gas-Phase Molecular Orbital Descriptors
inferredcites →https://doi.org/10.1021/ci034047qopenalex-snapshot
Neural Networks: Accurate Nonlinear QSAR Model for HEPT Derivatives
inferredcites →https://doi.org/10.1021/ci9704367openalex-snapshot
Comparative Molecular Field Analysis of Heterocyclic Monoazo Dye−Fiber Affinities
inferredcites →https://doi.org/10.1021/ci990314+openalex-snapshot
Use of Artificial Neural Networks in a QSAR Study of Anti-HIV Activity for a Large Group of HEPT Derivatives
inferredcites →https://doi.org/10.1021/ja9718937openalex-snapshot
Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism
inferredcites →https://doi.org/10.1021/jm970110popenalex-snapshot
A 3D QSAR Study of a Series of HEPT Analogues: The Influence of Conformational Mobility on HIV-1 Reverse Transcriptase Inhibition
inferredcites →https://doi.org/10.1021/jm9810607openalex-snapshot
Self-Organizing Molecular Field Analysis: A Tool for Structure−Activity Studies
inferredcites →https://doi.org/10.1023/b:modi.0000006536.02970.f0openalex-snapshot
Comparative molecular surface analysis: A novel tool for drug design and molecular diversity studies
inferredcites →https://doi.org/10.1051/analusis:2000141openalex-snapshot
3D quantitative structure activity relationships with CoRSA. Comparative receptor surface analysis. Application to calcium channel agonists
inferredcites →https://doi.org/10.1080/00401706.1969.10490666openalex-snapshot
Computer Aided Design of Experiments
inferredcites →https://doi.org/10.2174/0929867033457061openalex-snapshot
Hybrid Canonical-Correlation Neural-Network Approach Applied to Nonnucleoside HIV-1 Reverse Transcriptase Inhibitors (HEPT Derivatives)
inferredcites →https://doi.org/10.2174/1381612033454423openalex-snapshot
Comparative QSAR Based on Neural Networks for the Anti-HIV Activity of HEPT Derivatives
inferredcites →https://doi.org/10.2174/1386207003331427openalex-snapshot
Self-Organizing Neural Networks for Screening and Development of Novel Artificial Sweetener Candidates
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
inferred← citeshttps://doi.org/10.1002/chin.200439209openalex-snapshot
GRID Formalism for the Comparative Molecular Surface Analysis: Application to the CoMFA Benchmark Steroids, Azo Dyes, and HEPT Derivatives.
inferred← citeshttps://doi.org/10.1007/s00894-008-0373-1openalex-snapshot
Receptor independent and receptor dependent CoMSA modeling with IVE-PLS: application to CBG benchmark steroids and reductase activators
inferred← citeshttps://doi.org/10.1007/s10822-019-00231-xopenalex-snapshot
www.3d-qsar.com: a web portal that brings 3-D QSAR to all electronic devices—the Py-CoMFA web application as tool to build models from pre-aligned datasets
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.2005.08.023openalex-snapshot
A 4D-QSAR study on anti-HIV HEPT analogues
inferred← citeshttps://doi.org/10.1016/j.bmc.2005.10.014openalex-snapshot
3D QSAR study of hypolipidemic asarones by comparative molecular surface analysis
inferred← citeshttps://doi.org/10.1016/j.dyepig.2012.01.015openalex-snapshot
Modelling heterocyclic azo dye affinities for cellulose fibres by computational approaches
inferred← citeshttps://doi.org/10.1021/ci0501286openalex-snapshot
Three-Dimensional QSAR Using the k-Nearest Neighbor Method and Its Interpretation
inferred← citeshttps://doi.org/10.1021/ci0501488openalex-snapshot
Modeling Robust QSAR. 1. Coding Molecules in 3D-QSAR from a Point to Surface Sectors and Molecular Volumes
inferred← citeshttps://doi.org/10.1021/ci600295zopenalex-snapshot
Modeling Robust QSAR. 2. Iterative Variable Elimination Schemes for CoMSA: Application for Modeling Benzoic Acid pKaValues
inferred← citeshttps://doi.org/10.1021/ci700238kopenalex-snapshot
Ordinal Classification Using Comparative Molecular Field Analysis
inferred← citeshttps://doi.org/10.1021/ci700444zopenalex-snapshot
Enhancement of Ordinal CoMFA by Ridge Logistic Partial Least Squares
inferred← citeshttps://doi.org/10.1038/s41598-019-42595-yopenalex-snapshot
Design and synthesis of anticancer 1-hydroxynaphthalene-2-carboxanilides with a p53 independent mechanism of action
inferred← citeshttps://doi.org/10.1039/c6ra15820jopenalex-snapshot
Multidimensional (3D/4D-QSAR) probability-guided pharmacophore mapping: investigation of activity profile for a series of drug absorption promoters
inferred← citeshttps://doi.org/10.1080/10406638.2022.2049326openalex-snapshot
Synthesis and Biochemical Studies of Novel Mon-Azothiazoles and Bis-Azothiazoles Based on 2-(4-(Dimethylamino)Benzylidene)Hydrazine-1-Carbothioamide
inferred← citeshttps://doi.org/10.1080/1062936x.2018.1517278openalex-snapshot
Probability-driven 3D pharmacophore mapping of antimycobacterial potential of hybrid molecules combining phenylcarbamoyloxy and N-arylpiperazine fragments
inferred← citeshttps://doi.org/10.1111/cote.12027openalex-snapshot
Review of quantitative structure‐activity/property relationship studies of dyes: recent advances and perspectives
inferred← citeshttps://doi.org/10.1134/s1068162024050388openalex-snapshot
Synthesis, Computational, and Photophysical Probing Studies on Mono-Azo Sulfonamides, and Their Antibacterial Activity
inferred← citeshttps://doi.org/10.1155/2013/795621openalex-snapshot
Estimation of Anti-HIV Activity of HEPT Analogues Using MLR, ANN, and SVM Techniques
inferred← citeshttps://doi.org/10.1517/17460441.1.7.693openalex-snapshot
Drug design using comparative molecular surface analysis
inferred← citeshttps://doi.org/10.21203/rs.3.rs-3731744/v1openalex-snapshot
Design of Sulfonamide Substituted Mono-Azo Derivatives: Photophysical and Biological Activity
inferred← citeshttps://doi.org/10.2174/092986709788803286openalex-snapshot
Receptor Dependent Multidimensional QSAR for Modeling Drug - Receptor Interactions
inferred← citeshttps://doi.org/10.2174/138161212802430440openalex-snapshot
The Development of HEPT-Type HIV Non-Nucleoside Reverse Transcriptase Inhibitors and Its Implications for DABO Family
inferred← citeshttps://doi.org/10.2174/1386207317666140205195252openalex-snapshot
Structure-Based Modeling of Dye-Fiber Affinity with SOM-4D-QSAR Paradigm: Application to Set of Anthraquinone Derivatives
inferred← citeshttps://doi.org/10.22037/ijpr.2019.1100731openalex-snapshot
Application of Genetic Algorithms for Pixel Selection in MIA-QSAR Studies on Anti-HIV HEPT Analogues for New Design Derivatives.
inferred← citeshttps://doi.org/10.2478/s11532-013-0336-yopenalex-snapshot
Study of lipophilicity of alpha-asarone derivatives and their deterrent activity against the Colorado potato beetle
inferred← citeshttps://doi.org/10.3390/91201148openalex-snapshot
Self-organizing Neural Networks for Modeling Robust 3D and 4D QSAR: Application to Dihydrofolate Reductase Inhibitors
inferred← citeshttps://doi.org/10.3390/ijms21186583openalex-snapshot
Consensus-Based Pharmacophore Mapping for New Set of N-(disubstituted-phenyl)-3-hydroxyl-naphthalene-2-carboxamides
inferred← citeshttps://doi.org/10.3390/molecules23081964openalex-snapshot
Towards Intelligent Drug Design System: Application of Artificial Dipeptide Receptor Library in QSAR-Oriented Studies
inferred← citeshttps://doi.org/10.3390/molecules24162991openalex-snapshot
Bioactivity of Methoxylated and Methylated 1-Hydroxynaphthalene-2-Carboxanilides: Comparative Molecular Surface Analysis
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