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Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 1. Aqueous Solubility

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

inferredcites →https://doi.org/10.1002/jps.2600690814openalex-snapshot
Solubility and partitioning I: Solubility of nonelectrolytes in water
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Aqueous solubility and n-octanol/water partition coefficient correlations
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AQUAFAC 3: aqueous functional group activity coefficients; application to the estimation of aqueous solubility
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Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings
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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
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Evaluation of Dynamic Polar Molecular Surface Area as Predictor of Drug Absorption: Comparison with Other Computational and Experimental Predictors
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Linear free-energy relationship between partition coefficients and the aqueous solubility of organic liquids
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Correlation of Drug Absorption with Molecular Surface Properties
inferredcites →https://doi.org/10.1023/a:1011905522110openalex-snapshot
Predicting Drug Absorption from Molecular Surface Properties Based on Molecular Dynamics Simulations
inferredcites →https://doi.org/10.1023/a:1012188625088openalex-snapshot
Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans
inferredcites →https://doi.org/10.1023/a:1015040217741openalex-snapshot
Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs
inferredcites →https://doi.org/10.2134/jeq1993.00472425002200010034xopenalex-snapshot
Aqueous Solubility: Methods of Estimation for Organic Compounds

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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