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Fuzzy ARTMAP and Back-Propagation Neural Networks Based Quantitative Structure−Property Relationships (QSPRs) for Octanol−Water Partition Coefficient of Organic Compounds
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Prediction of the n-Octanol/Water Partition Coefficient, logP, Using a Combination of Semiempirical MO-Calculations and a Neural Network
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Neural Network Based Quantitative Structural Property Relations (QSPRs) for Predicting Boiling Points of Aliphatic Hydrocarbons
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A Fuzzy ARTMAP Based on Quantitative Structure−Property Relationships (QSPRs) for Predicting Aqueous Solubility of Organic Compounds
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Computer-Assisted Computation of Partition Coefficients from Molecular Structures Using Fragment Constants
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A Comparative Study of Topological and Geometrical Parameters in Estimating Normal Boiling Point and Octanol/Water Partition Coefficient
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Assessment of n-Octanol/Water Partition Coefficient: When Is the Assessment Reliable?
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A New Atom-Additive Method for Calculating Partition Coefficients
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Toward a Principled Methodology for Neural Network Design and Performance Evaluation in QSAR. Application to the Prediction of LogP
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QM/NN QSPR Models with Error Estimation: Vapor Pressure and LogP
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Neural Network Modeling for Estimation of Partition Coefficient Based on Atom-Type Electrotopological State Indices
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Calculating log Poct from structures
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Partition coefficients and their uses
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Modeling octanol/water partition coefficients by molecular topology: chlorinated benzenes and biphenyls
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A Fuzzy ARTMAP-Based Quantitative Structure−Property Relationship (QSPR) for Predicting Physical Properties of Organic Compounds
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Structural Determination of Paraffin Boiling Points
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An Apparent Correlation between the in Vitro Activity of Chloramphenicol Analogs and Electronic Polarizability
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Study on the Correlation and Prediction of Octanol/Water Partition Coefficients by Quantum Chemical Calculations
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Estimating log P with atom/fragments and water solubility with log P
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Fuzzy ARTMAP: A neural network architecture for incremental supervised learning of analog multidimensional maps
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ChemInform Abstract: Fuzzy ARTMAP and Back‐Propagation Neural Networks Based Quantitative Structure—Property Relationships (QSPRs) for Octanol—Water Partition Coefficient of Organic Compounds.
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