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Development of Neural Network QSPR Models for Hansch Substituent Constants. 1. Method and Validations

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What this work says

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

inferredcites →https://doi.org/10.1002/jmr.300050205openalex-snapshot
Quantitative structure–activity relationship studies on benzodiazepine receptor binding: Recognition of active sites in receptor and modelling of interaction
inferredcites →https://doi.org/10.1002/qsar.19970160505openalex-snapshot
Simple Quantum Chemical Parameters as an Alternative to the Hammett Sigma Constants in QSAR Studies
inferredcites →https://doi.org/10.1016/0167-4838(91)90022-ropenalex-snapshot
Separation of electronic and hydrophobic effects for the papain hydrolysis of substituted N-benzoylglycine esters
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Cholecystokinin B antagonists. Synthesis and quantitative structure-activity relationships of a series of C-terminal analogues of CI-988
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Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions
inferredcites →https://doi.org/10.1021/ci00063a006openalex-snapshot
Atomic physicochemical parameters for three dimensional structure directed quantitative structure-activity relationships. 4. Additional parameters for hydrophobic and dispersive interactions and their application for an automated superposition of certain naturally occurring nucleoside antibiotics
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Review of ring perception algorithms for chemical graphs
inferredcites →https://doi.org/10.1021/ci990222kopenalex-snapshot
QSAR Treatment of Electronic Substituent Effects Using Frontier Orbital Theory and Topological Parameters
inferredcites →https://doi.org/10.1021/ci990307lopenalex-snapshot
Prediction of Physicochemical Parameters by Atomic Contributions
inferredcites →https://doi.org/10.1021/cr00002a004openalex-snapshot
A survey of Hammett substituent constants and resonance and field parameters
inferredcites →https://doi.org/10.1021/ja00057a039openalex-snapshot
Neural network classification of inductive and resonance effects of substituents
inferredcites →https://doi.org/10.1021/ja00057a040openalex-snapshot
The equilibrium conformation of ethyl isocyanate revisited
inferredcites →https://doi.org/10.1021/ja00901a033openalex-snapshot
The Correlation of Biological Activity of Plant Growth Regulators and Chloromycetin Derivatives with Hammett Constants and Partition Coefficients
inferredcites →https://doi.org/10.1021/ja00901a034openalex-snapshot
Isolation, Configuration, and Synthesis of Natural cis- and trans-3-Hydroxyprolines
inferredcites →https://doi.org/10.1021/jm9910728openalex-snapshot
Simple Linear QSAR Models Based on Quantum Similarity Measures
inferredcites →https://doi.org/10.1023/a:1008782809845openalex-snapshot
The hydrophobic fragmental constant approach forcalculating log P in octanol/water and aliphatic hydrocarbon/water systems

What points at this work

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inferred← citeshttps://doi.org/10.1002/9783527628766.biblioopenalex-snapshot
Bibliography
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Mold2Molecular Descriptors for QSAR
inferred← citeshttps://doi.org/10.1002/aic.16678openalex-snapshot
An architecture of deep learning in QSPR modeling for the prediction of critical properties using molecular signatures
inferred← citeshttps://doi.org/10.1007/978-1-4939-3609-0_18openalex-snapshot
QSAR Models at the US FDA/NCTR
inferred← citeshttps://doi.org/10.1007/978-1-60327-101-1_8openalex-snapshot
Neural Networks in Building QSAR Models
inferred← citeshttps://doi.org/10.1007/s00044-011-9645-xopenalex-snapshot
Topological models for the prediction of antimycobacterial activity of 4-(5-substituted-1,3,4-oxadiazol-2-yl)pyridines
inferred← citeshttps://doi.org/10.1016/b978-0-12-821092-5.00012-7openalex-snapshot
Deep learning in QSPR modeling for the prediction of critical properties
inferred← citeshttps://doi.org/10.1016/j.arabjc.2012.11.021openalex-snapshot
QSAR studies of antimicrobial activity of 1,3-disubstituted-1 H -naphtho[1,2-e][1,3]oxazines using topological descriptors
inferred← citeshttps://doi.org/10.1016/j.bmcl.2006.03.019openalex-snapshot
Quantitative structure–activity relationship studies on HEPTs by supervised stochastic resonance
inferred← citeshttps://doi.org/10.1016/j.jmgm.2016.01.007openalex-snapshot
Quantitative structure–hydrophobicity relationships of molecular fragments and beyond
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.05.009openalex-snapshot
Electronic and molecular structure of aminimides (1-acyl-2,2,2-trimethyl-diazan-2-ium-1-ide). 2. Substituted aminimides (R CON−N+Me3)
inferred← citeshttps://doi.org/10.1021/cr900238dopenalex-snapshot
Quantitative Correlation of Physical and Chemical Properties with Chemical Structure: Utility for Prediction
inferred← citeshttps://doi.org/10.1093/chromsci/46.5.406openalex-snapshot
Prediction of Kovats Retention Indices of Some Aliphatic Aldehydes and Ketones on Some Stationary Phases at Different Temperatures Using Artificial Neural Network
inferred← citeshttps://doi.org/10.1111/j.1747-0285.2012.01351.xopenalex-snapshot
3D‐QSAR Studies on the Inhibitory Activity of Trimethoprim Analogues against Escherichia coli Dihydrofolate Reductase
inferred← citeshttps://doi.org/10.1134/s0012500810030067openalex-snapshot
Neural network modeling of substituent constants on the basis of fragmental descriptors
inferred← citeshttps://doi.org/10.21203/rs.3.rs-1780666/v1openalex-snapshot
Qsar, Molecular Docking, and Adme Studies of Ferulic Acid Derivatives
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