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Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-Type Electrotopological State Indices

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

inferredcites →https://doi.org/10.1002/jcc.540020204openalex-snapshot
Calculation of partition coefficients by the charge density method
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Assessment of methods used for predicting lipophilicity: Application to nucleosides and nucleoside bases
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Substituent Constants for Correlation Analysis in Chemistry and Biology.
inferredcites →https://doi.org/10.1002/jps.2600840120openalex-snapshot
Atom/Fragment Contribution Method for Estimating Octanol–Water Partition Coefficients
inferredcites →https://doi.org/10.1007/s008940050027openalex-snapshot
Prediction of the n-Octanol/Water Partition Coefficient, logP, Using a Combination of Semiempirical MO-Calculations and a Neural Network
inferredcites →https://doi.org/10.1016/s0021-9673(97)00958-8openalex-snapshot
Prediction of migration behaviour of flavonoids in capillary zone electrophoresis by means of topological indices
inferredcites →https://doi.org/10.1016/s0169-409x(96)00423-1openalex-snapshot
Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
inferredcites →https://doi.org/10.1016/s0223-5234(98)80024-xopenalex-snapshot
Autocorrelation modeling of lipophilicity with a back-propagation neural network
inferredcites →https://doi.org/10.1016/s0893-6080(97)00005-1openalex-snapshot
Efficient Partition of Learning Data Sets for Neural Network Training
inferredcites →https://doi.org/10.1021/cc9800071openalex-snapshot
A Knowledge-Based Approach in Designing Combinatorial or Medicinal Chemistry Libraries for Drug Discovery. 1. A Qualitative and Quantitative Characterization of Known Drug Databases
inferredcites →https://doi.org/10.1021/ci00027a006openalex-snapshot
Neural network studies. 1. Comparison of overfitting and overtraining
inferredcites →https://doi.org/10.1021/ci950204copenalex-snapshot
Neural Network Studies. 2. Variable Selection
inferredcites →https://doi.org/10.1021/ci970100xopenalex-snapshot
Aqueous Solubility Prediction of Drugs Based on Molecular Topology and Neural Network Modeling
inferredcites →https://doi.org/10.1021/ci970431+openalex-snapshot
Identification of Biological Activity Profiles Using Substructural Analysis and Genetic Algorithms
inferredcites →https://doi.org/10.1021/ci980130fopenalex-snapshot
Modeling Antileukemic Activity of Carboquinones with Electrotopological State and Chi Indices
inferredcites →https://doi.org/10.1021/ci990162iopenalex-snapshot
The Characterization of Chemical Structures Using Molecular Properties. A Survey
inferredcites →https://doi.org/10.1021/jp9638503openalex-snapshot
Molecular Size Based Approach To Estimate Partition Properties for Organic Solutes
inferredcites →https://doi.org/10.1021/js960358mopenalex-snapshot
Neural Network Modeling for Estimation of the Aqueous Solubility of Structurally Related Drugs
inferredcites →https://doi.org/10.1021/js980266sopenalex-snapshot
Prediction of partition coefficient based on atom‐type electrotopological state indices
inferredcites →https://doi.org/10.1023/a:1008048822117openalex-snapshot
QSAR modeling with the electrotopological state indices: Corticosteroids
inferredcites →https://doi.org/10.1023/a:1016005813432openalex-snapshot
Application of the Electrotopological State Index to QSAR Analysis of Flavone Derivatives as HIV-1 Integrase Inhibitors
inferredcites →https://doi.org/10.1177/108705719600100204openalex-snapshot
Designing Chemical Libraries for Lead Discovery
inferredcites →https://doi.org/10.2174/0929867305666220319102516openalex-snapshot
Octanol-Water Partition: Searching for Predictive Models

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