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Electronic van der Waals Surface Property Descriptors and Genetic Algorithms for Developing Structure−Activity Correlations in Olfactory Databases

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

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QSPR analysis of HPLC column capacity factors for a set of high-energy materials using electronic van der waals surface property descriptors computed by transferable atom equivalent method
inferredcites →https://doi.org/10.1002/jcc.10240openalex-snapshot
Transferable atom equivalent multicentered multipole expansion method
inferredcites →https://doi.org/10.1016/0022-5193(77)90283-1openalex-snapshot
Odor and molecular vibration: Neural coding of olfactory information
inferredcites →https://doi.org/10.1016/0022-5193(77)90319-8openalex-snapshot
A quantitative structure-activity approach to chemoreception: Importance of lipophilic properties
inferredcites →https://doi.org/10.1016/0097-8485(94)00052-gopenalex-snapshot
Electron density modeling of large systems using the transferable atom equivalent method
inferredcites →https://doi.org/10.1016/0308-8146(79)90009-8openalex-snapshot
Structure-activity relationships in human chemoreception
inferredcites →https://doi.org/10.1016/s0040-4020(98)00199-9openalex-snapshot
Fragrance chemistry
inferredcites →https://doi.org/10.1021/ci025580topenalex-snapshot
Prediction of Protein Retention Times in Anion-Exchange Chromatography Systems Using Support Vector Regression
inferredcites →https://doi.org/10.1021/cr950068aopenalex-snapshot
Structure−Odor Relationships
inferredcites →https://doi.org/10.1021/ed035p480.1openalex-snapshot
Molecular Structure and Organoleptic Quality
inferredcites →https://doi.org/10.1021/jf00023a038openalex-snapshot
Application of the computer automated structure evaluation methodology to a QSAR study of chemoreception. Aromatic musky odorants
inferredcites →https://doi.org/10.1021/jf60149a001openalex-snapshot
Olfaction, musk odor, and molecular properties
inferredcites →https://doi.org/10.1021/jf60213a001openalex-snapshot
Extraction of important molecular features of musk compounds using pattern recognition techniques
inferredcites →https://doi.org/10.1021/jf60222a036openalex-snapshot
Isolation and stable isotope ratio analysis of vanillin
inferredcites →https://doi.org/10.1021/jf60222a054openalex-snapshot
Dependence of odor intensity on the hydrophobic properties of molecules. A quantitative structure odor intensity relationship
inferredcites →https://doi.org/10.1021/jm000941mopenalex-snapshot
GRid-INdependent Descriptors (GRIND): A Novel Class of Alignment-Independent Three-Dimensional Molecular Descriptors
inferredcites →https://doi.org/10.1039/a709269eopenalex-snapshot
Structure-musk odour relationship studies of tetralin and indan compounds using neural networks
inferredcites →https://doi.org/10.1093/chemse/11.1.145openalex-snapshot
Structure-activity studies of musk odorants using pattern recognition: bicyclo- and tricyclo-benzenoids
inferredcites →https://doi.org/10.1093/chemse/21.6.773openalex-snapshot
A Spectroscopic Mechanism for Primary Olfactory Reception
inferredcites →https://doi.org/10.1093/oso/9780198551683.001.0001openalex-snapshot
Atoms in Molecules

What points at this work

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Clustering and Classification of Analytical DataUpdate based on the original article by Barry K. Lavine,Encyclopedia of Analytical Chemistry, © 2000, John Wiley & Sons, Ltd.
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Predictive Modeling of Molecular Properties: Can We Go beyond Interpretation?
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Hunting for Better Aromatic Chemicals with AI Techniques
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Electronic van der Waals Surface Property Descriptors and Genetic Algorithms for Developing Structure—Activity Correlations in Olfactory Databases.
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Search prefilters for library matching of infrared spectra in the PDQ database using the autocorrelation transformation
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Wavelets and genetic algorithms applied to search prefilters for spectral library matching in forensics
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Chemometrics
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Odor-Structure Relationship Studies of Indan, Tetralin, and Isochroman Musks
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A QSPR Model for the Prediction of the “Fish-Tail” Temperature of CiE4/Water/Polar Hydrocarbon Oil Systems
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Ion Mobility-Mass Spectrometry Analysis of Serum N-linked Glycans from Esophageal Adenocarcinoma Phenotypes
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Shape Signatures: New Descriptors for Predicting Cardiotoxicity In Silico
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Predicting the bioconcentration factor through a conformation-independent QSPR study
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Odor-Structure Relationship Studies of Tetralin and Indan Musks
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Predicting olfactory receptor neuron responses from odorant structure
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Drug design using comparative molecular surface analysis
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Quantitative Structure-Activity Relationship Study of Camptothecin Derivatives as Anticancer Drugs Using Molecular Descriptors
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QSAR Study for Carcinogenicity in a Large Set of Organic Compounds
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Novel Quadruplex ligands : in silico and in vitro approaches
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