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Identification of Active Molecular Sites Using Quantum-Self-Similarity Measures

https://doi.org/10.1021/ci000160u
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Outgoing claims: the papers this work cites, builds on, or argues with.

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Toward a global maximization of the molecular similarity function: Superposition of two molecules
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Alignment of molecules by the Monte Carlo optimization of molecular similarity indices
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Molecular quantum similarity measures as an alternative to log P values in QSAR studies
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Quantum similarity approach to LFER: substituent and solvent effects on the acidities of carboxylic acids
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/10.1002/1097-461x(2000)80:3<265::aid-qua1>3.0.co;2-kopenalex-snapshot
Quantum similarity QSAR: Study of inhibitors binding to thrombin, trypsin, and factor Xa, including a comparison with CoMFA and CoMSIA methods
inferredcites →https://doi.org/10.1002/qsar.19910100302openalex-snapshot
Validation of QSAR's
inferredcites →https://doi.org/10.1002/qsar.19910100303openalex-snapshot
Theoretical Determination of the Putative Receptor‐bound Conformations of 5‐HT2 Receptor Agonists
inferredcites →https://doi.org/10.1002/qsar.19930120104openalex-snapshot
Comparison of the Minimal Steric Difference (MTD) and Comparative Molecular Field Analysis (CoMFA) Methods for Analysis of Binding of Steroids to Carrier Proteins
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/10.1007/978-3-642-57273-9openalex-snapshot
Molecular Quantum Similarity in QSAR and Drug Design
inferredcites →https://doi.org/10.1007/bf00125174openalex-snapshot
Applications of momentum-space similarity
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E-state fields: Applications to 3D QSAR
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A novel approach to molecular similarity
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Definition, mathematical examples and quantum chemical applications of nested summation symbols and logical Kronecker deltas
inferredcites →https://doi.org/10.1016/s0166-1280(00)00363-8openalex-snapshot
Quantum mechanical origin of QSAR: theory and applications
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A quantum molecular similarity approach to anti-HIV activity
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A general survey of molecular quantum similarity
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A molecular field-based similarity approach to pharmacophoric pattern recognition
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inferredcites →https://doi.org/10.1021/ci9800108openalex-snapshot
Molecular Quantum Similarity Measures Tuned 3D QSAR: An Antitumoral Family Validation Study
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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/ci9903408openalex-snapshot
Quantification of the Influence of Single-Point Mutations on Haloalkane Dehalogenase Activity: A Molecular Quantum Similarity Study
inferredcites →https://doi.org/10.1021/ja00001a013openalex-snapshot
Simulation of the structure and dynamics of the bis(penicillamine) enkephalin zwitterion
inferredcites →https://doi.org/10.1021/ja00092a047openalex-snapshot
Use of ab Initio Quantum Molecular Similarities as an Interpretative Tool for the Study of Chemical Reactions
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
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Molecular Similarity Matrixes and Quantitative Structure-Activity Relationships: A Case Study with Methodological Implications
inferredcites →https://doi.org/10.1021/jm00050a010openalex-snapshot
Molecular Similarity Indices in a Comparative Analysis (CoMSIA) of Drug Molecules to Correlate and Predict Their Biological Activity
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/jm00145a003openalex-snapshot
Comparative computer graphics and solution studies of the DNA interaction of substituted anthraquinones based on doxorubicin and mitoxantrone
inferredcites →https://doi.org/10.1021/jm950589qopenalex-snapshot
Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
inferredcites →https://doi.org/10.1021/jm9810607openalex-snapshot
Self-Organizing Molecular Field Analysis: A Tool for Structure−Activity Studies
inferredcites →https://doi.org/10.1021/jm9910728openalex-snapshot
Simple Linear QSAR Models Based on Quantum Similarity Measures
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:1008031629127openalex-snapshot
Objective models for steroid binding sites of human globulins
inferredcites →https://doi.org/10.1023/a:1008039618288openalex-snapshot
Facet diagrams for quantum similarity data
inferredcites →https://doi.org/10.1023/a:1008059505361openalex-snapshot
Molecular basis of quantitative structure-properties relationships (QSPR): A quantum similarity approach
inferredcites →https://doi.org/10.1023/a:1008079512289openalex-snapshot
MS-WHIM, new 3D theoretical descriptors derived from molecular surface properties: A comparative 3D QSAR study in a series of steroids
inferredcites →https://doi.org/10.1023/a:1008098215954openalex-snapshot
A molecular-field-based similarity study of non-nucleoside HIV-1 reverse transcriptase inhibitors
inferredcites →https://doi.org/10.1080/00268979909482950openalex-snapshot
The holographic electron density theorem and quantum similarity measures
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
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Aromatic Compounds Aquatic Toxicity QSAR Using Molecular Quantum Similarity Measures

What points at this work

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

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