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Modeling Steric and Electronic Effects in 3D- and 4D-QSAR Schemes: Predicting Benzoic pKa Values and Steroid CBG Binding Affinities
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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Methods and Principles in Medicinal Chemistry
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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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The comparative molecular surface analysis (COMSA): a novel tool for molecular design
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Self-organizing neural networks for pharmacophore mapping
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Neural networks in drug discovery: have they lived up to their promise?
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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
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4D-QSAR Analysis of a Set of Ecdysteroids and a Comparison to CoMFA Modeling
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3D-Pharmacophores of Flavonoid Binding at the Benzodiazepine GABAA Receptor Site Using 4D-QSAR Analysis
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The Receptor-like Neural Network for Modeling Corticosteroid and Testosterone Binding Globulins
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A QSAR investigation of dihydrofolate reductase inhibition by Baker triazines based upon molecular shape analysis
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Photoassisted water-gas shift reaction over platinized titanium dioxide catalysts
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Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism
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Compass: Predicting Biological Activities from Molecular Surface Properties. Performance Comparisons on a Steroid Benchmark
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2-(Oxadiazolyl)- and 2-(thiazolyl)imidazo[1,2-a]pyrimidines as agonists and inverse agonists at benzodiazepine receptors
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4D-QSAR Analysis of a Set of Propofol Analogues: Mapping Binding Sites for an Anesthetic Phenol on the GABAA Receptor
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5D-QSAR: The Key for Simulating Induced Fit?
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Perimeter model and magnetic circular dichroism of porphyrin analogs
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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.200406227openalex-snapshot
Modeling Steric and Electronic Effects in 3‐D‐ and 4D‐QSAR Schemes: Predicting Benzoic pKa Values and Steroid CBG Binding Affinities.
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Multiple Conformer Descriptors for QSAR Modeling
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Mode-of-Action-Guided, Molecular Modeling-Based Toxicity Prediction: A Novel Approach for In Silico Predictive Toxicology
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Computer Representation of Chemical Compounds
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Computer Representation of Chemical Compounds
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Prediction of pKa for Neutral and Basic Drugs Based on Radial Basis Function Neural Networks and the Heuristic Method
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From Drug Discovery QSAR to Predictive Materials QSPR
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A 4D-QSAR study on anti-HIV HEPT analogues
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Extending pKa prediction accuracy: High-throughput pKa measurements to understand pKa modulation of new chemical series
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Self-organizing neural networks for pharmacophore mapping
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xMaP—An Interpretable Alignment-Free Four-Dimensional Quantitative Structure–Activity Relationship Technique Based on Molecular Surface Properties and Conformer Ensembles
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Modeling Robust QSAR. 2. Iterative Variable Elimination Schemes for CoMSA: Application for Modeling Benzoic Acid pKaValues
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Multidimensional (3D/4D-QSAR) probability-guided pharmacophore mapping: investigation of activity profile for a series of drug absorption promoters
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6D-QSAR for predicting biological activity of human aldose reductase inhibitors using quasar receptor surface modeling
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QuBiLS-MAS, open source multi-platform software for atom- and bond-based topological (2D) and chiral (2.5D) algebraic molecular descriptors computations
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Drug design using comparative molecular surface analysis
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Receptor Dependent Multidimensional QSAR for Modeling Drug - Receptor Interactions
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Structure-Based Modeling of Dye-Fiber Affinity with SOM-4D-QSAR Paradigm: Application to Set of Anthraquinone Derivatives
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Recent Advances in Multidimensional QSAR (4D-6D): A Critical Review
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Higher-Order and Mixed Discrete Derivatives such as a Novel Graph- Theoretical Invariant for Generating New Molecular Descriptors
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Self-organizing Neural Networks for Modeling Robust 3D and 4D QSAR: Application to Dihydrofolate Reductase Inhibitors
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Two Decades of 4D-QSAR: A Dying Art or Staging a Comeback?
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Unsupervised Learning in Drug Design from Self-Organization to Deep Chemistry
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Chemistry towards Biology—Instruct: Snapshot
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Additional file 1 of 6D-QSAR for predicting biological activity of human aldose reductase inhibitors using quasar receptor surface modeling
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