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Using Molecular Quantum Similarity Measures under Stochastic Transformation To Describe Physical Properties of Molecular Systems

https://doi.org/10.1021/ci0103370
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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/(sici)1096-987x(199712)18:16<2023::aid-jcc7>3.0.co;2-nopenalex-snapshot
Quantum similarity measures under atomic shell approximation: First order density fitting using elementary Jacobi rotations
inferredcites →https://doi.org/10.1002/(sici)1096-987x(19990715)20:9<911::aid-jcc2>3.0.co;2-oopenalex-snapshot
Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example
inferredcites →https://doi.org/10.1002/1096-987x(20010130)22:2<255::aid-jcc12>3.0.co;2-2openalex-snapshot
TGSA: A molecular superposition program based on topo-geometrical considerations
inferredcites →https://doi.org/10.1002/1097-461x(2000)79:3<163::aid-qua2>3.0.co;2-0openalex-snapshot
Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models
inferredcites →https://doi.org/10.1002/9783527610907.scardopenalex-snapshot
Methods and Principles in Medicinal Chemistry
inferredcites →https://doi.org/10.1002/qsar.19970160105openalex-snapshot
Application of Molecular Quantum Similarity to QSAR
inferredcites →https://doi.org/10.1002/qsar.19970160605openalex-snapshot
Structure‐Activity Relationships of a Steroid Family using Quantum Similarity Measures and Topological Quantum Similarity Indices
inferredcites →https://doi.org/10.1007/978-94-015-8488-3openalex-snapshot
Molecular Similarity and Reactivity
inferredcites →https://doi.org/10.1007/s0089490050141openalex-snapshot
Encyclopedia of Computational Chemistry
inferredcites →https://doi.org/10.1016/b978-0-12-299650-4.50007-4openalex-snapshot
Theory, Methods, and Applications
inferredcites →https://doi.org/10.1016/s0021-9673(01)93230-3openalex-snapshot
Structure—retention correlations of isomeric alkylphenols in gas—liquid chromatography
inferredcites →https://doi.org/10.1016/s0040-4020(98)00550-xopenalex-snapshot
Quantitative structure-property relationship study of normal boiling points for halogen-/ oxygen-/ sulfur-containing organic compounds using the CODESSA program
inferredcites →https://doi.org/10.1016/s0166-1280(98)00155-9openalex-snapshot
A general survey of molecular quantum similarity
inferredcites →https://doi.org/10.1016/s1873-9776(98)80008-4openalex-snapshot
Fuzzy sets and boolean tagged sets; vector semispaces and convex sets; quantum similarity measures and asa density functions; diagonal vector spaces and quantum chemistry
inferredcites →https://doi.org/10.1021/ac00083a005openalex-snapshot
Prediction of Gas Chromatographic Retention Times and Response Factors Using a General Qualitative Structure-Property Relationships Treatment
inferredcites →https://doi.org/10.1021/cen-v068n022.p023openalex-snapshot
Evidence mounts for dietary soluble fiber benefits
inferredcites →https://doi.org/10.1021/ci00057a005openalex-snapshot
SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules
inferredcites →https://doi.org/10.1021/ci9800108openalex-snapshot
Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study
inferredcites →https://doi.org/10.1021/ci980410vopenalex-snapshot
Three-Dimensional Quantitative Structure−Activity Relationships from Tuned Molecular Quantum Similarity Measures: Prediction of the Corticosteroid-Binding Globulin Binding Affinity for a Steroid Family
inferredcites →https://doi.org/10.1021/ci9900175openalex-snapshot
On Topological Indices, Boiling Points, and Cycloalkanes
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/ja01280a022openalex-snapshot
The Effect of Structure upon the Reactions of Organic Compounds. Benzene Derivatives
inferredcites →https://doi.org/10.1023/a:1008039618288openalex-snapshot
Facet diagrams for quantum similarity data
inferredcites →https://doi.org/10.1023/a:1008136520396openalex-snapshot
Use of electron-electron repulsion energy as a molecular descriptor in QSAR and QSPR studies
inferredcites →https://doi.org/10.1080/00401706.1978.10489693openalex-snapshot
Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models
inferredcites →https://doi.org/10.1080/00401706.1993.10485050openalex-snapshot
Introduction to Linear Regression Analysis
inferredcites →https://doi.org/10.1080/10629369908033223openalex-snapshot
Using Molecular Quantum Similarity Measures as Descriptors in Quantitative Structure-Toxicity Relationships
inferredcites →https://doi.org/10.1080/10629369908039109openalex-snapshot
Aromatic Compounds Aquatic Toxicity QSAR Using Molecular Quantum Similarity Measures

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inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
inferred← citeshttps://doi.org/10.1002/elps.200405963openalex-snapshot
Enantioseparation of aromatic amino acids and amino acid esters by capillary electrophoresis with crown ether and prediction of enantiomer migration orders by a three‐dimensional quantitative structure‐property relationship/comparative field analysis model
inferred← citeshttps://doi.org/10.1002/jcc.10258openalex-snapshot
TGSA‐Flex: Extending the capabilities of the Topo‐Geometrical superposition algorithm to handle flexible molecules
inferred← citeshttps://doi.org/10.1002/qua.20191openalex-snapshot
Foundation of quantum similarity measures and their relationship to QSPR: Density function structure, approximations, and application examples
inferred← citeshttps://doi.org/10.1007/s10337-013-2492-9openalex-snapshot
Quantitative Structure–Retention Relationships of Polychlorinated Biphenyls (PCBs) Gas Chromatographic Retention Times: A Quantum Similarity Approach
inferred← citeshttps://doi.org/10.1016/j.jchromb.2012.01.012openalex-snapshot
QSRR modeling for diverse drugs using different feature selection methods coupled with linear and nonlinear regressions
inferred← citeshttps://doi.org/10.1016/j.seppur.2009.06.005openalex-snapshot
Prediction of electrophoretic enantioseparation of aromatic amino acids/esters through MIA-QSPR
inferred← citeshttps://doi.org/10.1016/j.theochem.2005.02.033openalex-snapshot
Quantitative structure-property relationships to estimate nematic transition temperatures in thermotropic liquid crystals
inferred← citeshttps://doi.org/10.1016/s0065-3276(05)49003-6openalex-snapshot
Mathematical Elements of Quantum Electronic Density Functions
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
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