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Model Selection Based on Structural Similarity−Method Description and Application to Water Solubility Prediction

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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/etc.5620150205openalex-snapshot

IMPROVED METHOD FOR ESTIMATING WATER SOLUBILITY FROM OCTANOL/WATER PARTITION COEFFICIENT

inferredcites →https://doi.org/10.1002/etc.5620201003openalex-snapshot

PREDICTION OF BIODEGRADATION FROM THE ATOM-TYPE ELECTROTOPOLOGICAL STATE INDICES

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Atom/Fragment Contribution Method for Estimating Octanol–Water Partition Coefficients

inferredcites →https://doi.org/10.1002/qsar.200430866openalex-snapshot

Prediction of the Solubility, Activity Coefficient and Liquid/Liquid Partition Coefficient of Organic Compounds

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Software Development in Chemistry 5

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The use of characteristic volumes to measure cavity terms in reversed phase liquid chromatography

inferredcites →https://doi.org/10.1021/ci034243xopenalex-snapshot

ESOL: Estimating Aqueous Solubility Directly from Molecular Structure

inferredcites →https://doi.org/10.1021/ci049797uopenalex-snapshot

Linear and Nonlinear Methods in Modeling the Aqueous Solubility of Organic Compounds

inferredcites →https://doi.org/10.1021/ci980339topenalex-snapshot

Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach

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Structurally Diverse Quantitative Structure−Property Relationship Correlations of Technologically Relevant Physical Properties

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Sorption of Veterinary Pharmaceuticals in Soils: A Review

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Prediction of the Temperature Dependency of Henry's Law Constant from Chemical Structure

inferredcites →https://doi.org/10.1021/ie0205290openalex-snapshot

Group-Contribution-Based Estimation of Octanol/Water Partition Coefficient and Aqueous Solubility

inferredcites →https://doi.org/10.1023/a:1008715521862openalex-snapshot

Estimating log P with atom/fragments and water solubility with log P

inferredcites →https://doi.org/10.1023/a:1008767505932openalex-snapshot

Estimating aqueous solvation and lipophilicity of small organic molecules: A comparative overview of atom/group contribution methods

inferredcites →https://doi.org/10.2174/1386207013331147openalex-snapshot

Estimation of Aqueous Solubility in Drug Design

What points at this work

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Computation of Octanol−Water Partition Coefficients by Guiding an Additive Model with Knowledge

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