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Three-Dimensional Moments of Molecular Property Fields
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Outgoing claims: the papers this work cites, builds on, or argues with.
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The Thirty-one Benchmark Steroids Revisited: Comparative Molecular Moment Analysis (CoMMA) with Principal Component Regression
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Atomic Physicochemical Parameters for Three‐Dimensional Structure‐Directed Quantitative Structure‐Activity Relationships I. Partition Coefficients as a Measure of Hydrophobicity
inferredcites →https://doi.org/10.1002/jcc.540100804openalex-snapshot
Validation of the general purpose tripos 5.2 force field
inferredcites →https://doi.org/10.1007/0-306-46857-3_19openalex-snapshot
New 3D Molecular Descriptors: The WHIM theory and QSAR Applications
inferredcites →https://doi.org/10.1007/bf00135313openalex-snapshot
HINT: A new method of empirical hydrophobic field calculation for CoMFA
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/ci990038zopenalex-snapshot
Comparative Spectra Analysis (CoSA): Spectra as Three-Dimensional Molecular Descriptors for the Prediction of Biological Activities
inferredcites →https://doi.org/10.1021/j100172a074openalex-snapshot
Correlation between measured and calculated mobilities of ions: sensitivity analysis of the fitting procedure
inferredcites →https://doi.org/10.1021/j100172a075openalex-snapshot
Chronoamperometry at channel electrodes: a general computational approach
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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
inferredcites →https://doi.org/10.1021/jm00098a010openalex-snapshot
Comparative molecular field analysis of polyhalogenated dibenzo-p-dioxins, dibenzofurans, and biphenyls
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/jm950589qopenalex-snapshot
Comparative Molecular Moment Analysis (CoMMA): 3D-QSAR without Molecular Superposition
inferredcites →https://doi.org/10.1023/a:1008142124682openalex-snapshot
Global 3D-QSAR methods: MS-WHIM and autocorrelation
inferredcites →https://doi.org/10.1023/a:1008180020974openalex-snapshot
Evaluation of the EVA descriptor for QSAR studies: 3. The use of a genetic algorithm to search for models with enhanced predictive properties (EVA_GA)
inferredcites →https://doi.org/10.1038/299371a0openalex-snapshot
The helical hydrophobic moment: a measure of the amphiphilicity of a helix
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Center of Dispersion Force in HCl Interacting with Rare-Gas Atoms
inferredcites →https://doi.org/10.1063/1.1726864openalex-snapshot
Microwave Spectrum, Dipole Moment, and Ring-Puckering Vibration of Vinylene Carbonate
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The He++H2→HeH++H*(2s,2p) reaction: Study of the s and p contributions in a coincidence-correlation experiment
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Approximate constant of motion for molecular ions in a magnetic field
inferredcites →https://doi.org/10.1109/cvpr.1989.37894openalex-snapshot
Representing and comparing shapes using shape polynomials
inferredcites →https://doi.org/10.1201/9781482296945openalex-snapshot
Topological Indices and Related Descriptors in QSAR and QSPR
What points at this work
Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Descriptors from Molecular Geometry
inferred← citeshttps://doi.org/10.1002/chin.200107222openalex-snapshot
ChemInform Abstract: Three‐Dimensional Moments of Molecular Property Fields.
inferred← citeshttps://doi.org/10.1002/cmdc.200800118openalex-snapshot
Biomedical Potentials of Crown Ethers: Prospective Antitumor Agents
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Cumulative hydropathic topology of a voltage‐gated sodium channel at atomic resolution
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QSAR modeling of anthocyanins, anthocyanidins and catechins as inhibitors of lipid peroxidation using three-dimensional descriptors
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Isatin derivatives as DNA minor groove-binding agents: a structural and theoretical study
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Introduction to 3D-QSAR
inferred← citeshttps://doi.org/10.1016/b978-0-323-89775-4.00018-3openalex-snapshot
Ligand-based drug designing
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Validated predictive QSAR modeling of N-aryl-oxazolidinone-5-carboxamides for anti-HIV protease activity
inferred← citeshttps://doi.org/10.1016/j.chemolab.2007.08.006openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chemolab.2011.10.002openalex-snapshot
QSAR on aryl-piperazine derivatives with activity on malaria
inferred← citeshttps://doi.org/10.1016/j.ecoenv.2008.04.003openalex-snapshot
QSARs for congener-specific toxicity of polyhalogenated dibenzo-p-dioxins with DFT and WHIM theory
inferred← citeshttps://doi.org/10.1016/j.ejmech.2010.07.050openalex-snapshot
Analysis of physico-chemical properties of substrates of ABC and MFS multidrug transporters of pathogenic Candida albicans
inferred← citeshttps://doi.org/10.1016/j.jmgm.2009.03.004openalex-snapshot
QSAR analysis for quinoxaline-2-carboxylate 1,4-di-N-oxides as anti-mycobacterial agents
inferred← citeshttps://doi.org/10.1016/j.jmgm.2013.12.005openalex-snapshot
Models for H3 receptor antagonist activity of sulfonylurea derivatives
inferred← citeshttps://doi.org/10.1016/j.toxicon.2007.06.015openalex-snapshot
Predictive toxinology: An initial foray using calculated molecular descriptors to describe toxicity using saxitoxins as a model
inferred← citeshttps://doi.org/10.1016/j.toxlet.2011.11.010openalex-snapshot
Predictive insight into the relationship between AhR binding property and toxicity of polybrominated diphenyl ethers by PLS-derived QSAR
inferred← citeshttps://doi.org/10.1021/ci0100090openalex-snapshot
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation
inferred← citeshttps://doi.org/10.1021/jm049654zopenalex-snapshot
A 3D Similarity Method for Scaffold Hopping from Known Drugs or Natural Ligands to New Chemotypes
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Antitumor Potential of Crown Ethers: Structure−Activity Relationships, Cell Cycle Disturbances, and Cell Death Studies of a Series of Ionophores
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Predicting changes to INa from missense mutations in human SCN5A
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PXR ligand classification model with SFED-weighted WHIM and CoMMA descriptors
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Ab initio and QSAR study of several etoposides as anticancer drugs: Solvent effect
inferred← citeshttps://doi.org/10.1139/v2012-043openalex-snapshot
Prediction of gas-phase reduced ion mobility constants (K0) from three-dimensional molecular structure representation
inferred← citeshttps://doi.org/10.2174/156802610790232260openalex-snapshot
3D-QSAR in Drug Design - A Review
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Bridging Chemical and Biological Space: QSAR Probing Using 3D Molecular Descriptors
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Multi-scale modeling and variability in cardiac cellular electrophysiology
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QSPR Studies on Aqueous Solubilities of Drug-Like Compounds
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A DFT and QSAR Study of Several Sulfonamide Derivatives in Gas and Solvent
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