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Development of Quantitative Structure−Property Relationship Models for Early ADME Evaluation in Drug Discovery. 2. Blood-Brain Barrier Penetration

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

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Permeability of 5-fluorouracil and prodrugs in Caco-2 cell monolayers
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Lipophilicity and hydrogen-bonding capacity of H1-antihistaminic agents in relation to their central sedative side-effects
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Prediction of Polar Surface Area and Drug Transport Processes Using Simple Parameters and PLS Statistics
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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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Relationship of octanol/water partition coefficient and molecular weight to rat brain capillary permeability
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Development of a new physicochemical model for brain penetration and its application to the design of centrally acting H2 receptor histamine antagonists
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Renin inhibitors containing .psi.[CH2O] pseudopeptide inserts
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Computation of Brain−Blood Partitioning of Organic Solutes via Free Energy Calculations
inferredcites →https://doi.org/10.1021/jm980313topenalex-snapshot
Evaluation of Dynamic Polar Molecular Surface Area as Predictor of Drug Absorption: Comparison with Other Computational and Experimental Predictors
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Designing Libraries with CNS Activity
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Predicting Blood−Brain Barrier Permeation from Three-Dimensional Molecular Structure
inferredcites →https://doi.org/10.1021/js970439yopenalex-snapshot
Theoretical Calculation and Prediction of Brain–Blood Partitioning of Organic Solutes Using MolSurf Parametrization and PLS Statistics
inferredcites →https://doi.org/10.1023/a:1012188625088openalex-snapshot
Polar Molecular Surface Properties Predict the Intestinal Absorption of Drugs in Humans
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Polar Molecular Surface as a Dominating Determinant for Oral Absorption and Brain Penetration of Drugs
inferredcites →https://doi.org/10.1073/pnas.91.1.68openalex-snapshot
A method to determine the ability of drugs to diffuse through the blood-brain barrier.
inferredcites →https://doi.org/10.1111/j.1365-2125.1988.tb03318.xopenalex-snapshot
Pharmaceutical innovation by the seven UK‐owned pharmaceutical companies (1964‐1985).

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