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Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Volumes of restricted Minkowski sums and the free analogue of the entropy power inequality
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Clustering of a molecular dynamics trajectory with a Hamming distance
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Chemoinformatics – similarity and diversity in chemical libraries
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Extraction of pharmacophore information from high-throughput screens
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Three-Dimensional Moments of Molecular Property Fields
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Diversity Profiling and Design Using 3D Pharmacophores: Pharmacophore-Derived Queries (PDQ)
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Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
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Four-Dimensional Quantitative Structure−Activity Relationship Analysis of a Series of Interphenylene 7-Oxabicycloheptane Oxazole Thromboxane A2 Receptor Antagonists
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Construction of a Virtual High Throughput Screen by 4D-QSAR Analysis: Application to a Combinatorial Library of Glucose Inhibitors of Glycogen Phosphorylase b
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Prediction of Ligand−Receptor Binding Free Energy by 4D-QSAR Analysis: Application to a Set of Glucose Analogue Inhibitors of Glycogen Phosphorylase
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Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure
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Construction of 3D-QSAR Models Using the 4D-QSAR Analysis Formalism
inferredcites →https://doi.org/10.1021/jm950589qopenalex-snapshot
Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
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IcePick: A Flexible Surface-Based System for Molecular Diversity
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SQ: A Program for Rapidly Producing Pharmacophorically Relevent Molecular Superpositions
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New 4-Point Pharmacophore Method for Molecular Similarity and Diversity Applications: Overview of the Method and Applications, Including a Novel Approach to the Design of Combinatorial Libraries Containing Privileged Substructures
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Prospective Identification of Biologically Active Structures by Topomer Shape Similarity Searching
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Quantum Molecular Similarity. 1. BCP Space
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Chemical Diversity Approach for Evaluating Mechanistic Relatedness Among Toxicological Phenomena

What points at this work

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

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In Silico Prediction Models for Blood‐Brain Barrier Permeation
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ChemInform Abstract: Estimation of Molecular Similarity Based on 4D‐QSAR Analysis: Formalism and Validation.
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A novel hybrid method named electron conformational genetic algorithm as a 4D QSAR investigation to calculate the biological activity of the tetrahydrodibenzazosines
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3D Pharmacophore Mapping Using 4D QSAR Analysis for the Cytotoxicity of Lamellarins Against Human Hormone-Dependent T47D Breast Cancer Cells
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4D-Fingerprint Categorical QSAR Models for Skin Sensitization Based on the Classification of Local Lymph Node Assay Measures
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Combined 4D-QSAR and target-based approaches for the determination of bioactive Isatin derivatives
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