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An Alignment-Independent Versatile Structure Descriptor for QSAR and QSPR Based on the Distribution of Molecular Features
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Handbook of Molecular Descriptors
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Synthesis of a Cationic 1,3‐Diphospha‐2,4‐dipallada( II )tricyclo[1.1.1]pentane Derivative: The First Structurally Characterized Pyramidal μ2‐Phosphinidene
inferredcites →https://doi.org/10.1002/qsar.19910100402openalex-snapshot
Comparative Molecular Field Analysis on a Set of Muscarinic Agonists
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Variable Selection in QSAR Studies. II. A Highly Efficient Combination of Systematic Search and Evolution
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From Chemical Topology to Three-Dimensional Geometry
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The molecular transform as a similarity measure
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Estimation of partition coefficients of organic compounds: local database modeling with uniform-length structure descriptors
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On a graph theoretical basis for ordering of structures
inferredcites →https://doi.org/10.1016/0169-7439(87)80084-9openalex-snapshot
Principal component analysis
inferredcites →https://doi.org/10.1016/0169-7439(93)85002-xopenalex-snapshot
SIMPLS: An alternative approach to partial least squares regression
inferredcites →https://doi.org/10.1016/s0003-2670(00)82065-6openalex-snapshot
Versatile topological structure descriptor for quantitative structure/property studies
inferredcites →https://doi.org/10.1016/s0003-2670(01)95429-7openalex-snapshot
A graph-theoretic approach to quantitative structure—activity/reactivity studies
inferredcites →https://doi.org/10.1016/s0003-2670(97)00238-9openalex-snapshot
Computer-assisted IR spectra prediction — linked similarity searches for structures and spectra
inferredcites →https://doi.org/10.1016/s0165-6147(96)90278-3openalex-snapshot
Chemometric methods in molecular design
inferredcites →https://doi.org/10.1017/cbo9780511802843openalex-snapshot
Bootstrap Methods and their Application
inferredcites →https://doi.org/10.1021/ci00016a005openalex-snapshot
Traditional topological indexes vs electronic, geometrical, and combined molecular descriptors in QSAR/QSPR research
inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
inferredcites →https://doi.org/10.1021/ci00046a003openalex-snapshot
Computer code for producing Eh-pH plots of equilibrium chemical systems
inferredcites →https://doi.org/10.1021/ci950164copenalex-snapshot
The Coding of the Three-Dimensional Structure of Molecules by Molecular Transforms and Its Application to Structure-Spectra Correlations and Studies of Biological Activity
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/ja00226a005openalex-snapshot
Comparative molecular field analysis (CoMFA). 1. Effect of shape on binding of steroids to carrier proteins
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/jm000941mopenalex-snapshot
GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1021/jm00098a010openalex-snapshot
Comparative molecular field analysis of polyhalogenated dibenzo-p-dioxins, dibenzofurans, and biphenyls
inferredcites →https://doi.org/10.1023/a:1007988708826openalex-snapshot
Evaluation of a novel infrared range vibration-based descriptor (EVA) for QSAR studies. 1. General application
inferredcites →https://doi.org/10.1023/a:1008012732081openalex-snapshot
Evaluation of a novel molecular vibration-based descriptor (EVA) for QSAR studies: 2. Model validation using a benchmark steroid dataset
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/10.1023/a:1008142124682openalex-snapshot
Global 3D-QSAR methods: MS-WHIM and autocorrelation
inferredcites →https://doi.org/10.1023/a:1008771606841openalex-snapshot
EVA/PLS versus autocorrelation/neural network estimation of partition coefficients
inferredcites →https://doi.org/10.2307/2531996openalex-snapshot
Cross-Validation in Principal Component Analysis
inferredcites →https://doi.org/10.2307/2669707openalex-snapshot
Bootstrap Methods and Their Application
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Structural features of substituted triazole-linked chalcone derivatives as antimalarial activities against D10 strains of Plasmodium falciparum: A QSAR approach
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Diverse models for the prediction of CDK4 inhibitory activity of substituted 4-aminomethylene isoquinoline-1, 3-diones
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inferred← citeshttps://doi.org/10.1007/s12539-013-0067-yopenalex-snapshot
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Molecular modelling studies for the discovery of new substituted pyridines derivatives with angiotensin II AT1 receptor antagonists
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QSAR studies on 3-(4-biphenylmethyl) 4, 5-dihydro-4-oxo-3H-imidazo [4, 5-c] Pyridine derivatives as angiotensin II (AT1) receptor antagonist
inferred← citeshttps://doi.org/10.1007/s12539-015-0009-yopenalex-snapshot
Prospective QSAR-Based Prediction Models with Pharmacophore Studies of Oxadiazole-Substituted $$\alpha$$ α -Isopropoxy Phenylpropanoic Acids with Dual Activators of PPAR $$\alpha$$ α and PPAR $$\gamma$$ γ
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A Structure–Activity Relationship Study of Naphthoquinone Derivatives as Antitubercular Agents Using Molecular Modeling Techniques
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Structural Requirements of Some 2-(1-Propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide Derivatives as Poly (ADP-Ribose) Polymerase (PARP) for the Treatment of Cancer: QSAR Approach
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Identification of 3-Nitro-2,4,6-trihydroxybenzamide Derivatives as Photosynthetic Electron Transport Inhibitors by QSAR and Pharmacophore Studies
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Investigation on Quantitative Structure Activity Relationships of a Series of Inducible Nitric Oxide
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A comparative QSAR analysis of substituted imidazolones derivatives as angiotensin II AT1 receptor antagonists
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Exploration of important sites of angiotensin II AT1 receptor of Pyrido [2, 3-d] pyrimidine analogues for structural modification using computational approach
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inferred← citeshttps://doi.org/10.1155/2014/979606openalex-snapshot
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inferred← citeshttps://doi.org/10.3109/14756360903524296openalex-snapshot
QSAR model for predicting the fungicidal action of 1,2,4-triazole derivatives against Candida albicans
inferred← citeshttps://doi.org/10.3109/14756366.2010.506437openalex-snapshot
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inferred← citeshttps://doi.org/10.53879/id.53.11.10594openalex-snapshot
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inferred← citeshttps://doi.org/10.53879/id.55.01.10961openalex-snapshot
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inferred← citeshttps://doi.org/10.53879/id.57.04.11853openalex-snapshot
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inferred← citeshttps://doi.org/10.53879/id.59.05.12852openalex-snapshot
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inferred← citeshttps://doi.org/10.5530/ijper.51.3.72openalex-snapshot
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inferred← citeshttps://doi.org/10.7897/2230-8407.110442openalex-snapshot
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