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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
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What this work says
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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Quantum similarity measures under atomic shell approximation: First order density fitting using elementary Jacobi rotations
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Molecular quantum similarity measures as an alternative to log P values in QSAR studies
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The use of ab initio quantum molecular self-similarity measures to analyze electronic charge density distributions
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Comparative Molecular Field Analysis on a Set of Muscarinic Agonists
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Structure‐activity Relations in Gestagenic Steroids by the MTD Method. The Case of Hard Molecules and Soft Receptors
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Inhibition of Thermolysin and Bacillus brevis Neutral Proteinase by Organic Solvents and Some Related Compounds
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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.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/10.1002/qsar.2660110304openalex-snapshot
Fuzzy Adaptive Least Squares and Its Application to Structure‐Activity Studies
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Molecular Similarity and Reactivity
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Experimental design based 3-D QSAR analysis of steroid-protein interactions: Application to human CBG complexes
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3-D QSAR analysis of steroid/protein interactions: The use of difference maps
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E-state fields: Applications to 3D QSAR
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The comparison of geometric and electronic properties of molecular surfaces by neural networks: Application to the analysis of corticosteroid-binding globulin activity of steroids
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Triple density molecular quantum similarity measures: A general connection between theoretical calculations and experimental results
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The Approximation of One Matrix by Another of Lower Rank
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A Different Method for Steric Field Evaluation in CoMFA Improves Model Robustness
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Autocorrelation of Molecular Surface Properties for Modeling Corticosteroid Binding Globulin and Cytosolic Ah Receptor Activity by Neural Networks
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Computer-aided studies of the structure-activity relationships between the structure of some steroids and their antiinflammatory activity
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Cluster significance analysis contrasted with three other quantitative structure-activity relationship methods
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2,4-Diamino-6,7-dimethoxyquinazolines. 1. 2-[4-(1,4-Benzodioxan-2-ylcarbonyl)piperazin-1-yl] derivatives as .alpha.1-adrenoceptor antagonists and antihypertensive agents
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Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
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Objective models for steroid binding sites of human globulins
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Fuzzy sets and Boolean tagged sets
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Mean Square Error of Prediction as a Criterion for Selecting Variables
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The Relationship Between Variable Selection and Data Agumentation and a Method for Prediction
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Shape in chemistry: an introduction to molecular shape and topology
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Fitted electronic density functions from H to Rn for use in quantum similarity measures: cis-diamminedichloroplatinum(II) complex as an application example
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Stochastic transformation of quantum similarity matrices and their use in quantum QSAR (QQSAR) models
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Quantum similarity QSAR: Study of inhibitors binding to thrombin, trypsin, and factor Xa, including a comparison with CoMFA and CoMSIA methods
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Communications on quantum similarity (2): A geometric discussion on holographic electron density theorem and confined quantum similarity measures
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Use of promolecular ASA density functions as a general algorithm to obtain starting MO in SCF calculations
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BCL::EMAS — Enantioselective Molecular Asymmetry Descriptor for 3D-QSAR
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