Prediction of the Brain−Blood Distribution of a Large Set of Drugs from Structurally Derived Descriptors Using Partial Least-Squares (PLS) Modeling

Cross-Validatory Estimation of the Number of Components in Factor and Principal Components Models

1978 • 2,463 citations

Molecular Connectivity in Chemistry and Drug Research

1976 • 1,666 citations

P-glycoprotein in the blood-brain barrier of mice influences the brain penetration and pharmacological activity of many drugs.

1996 • 1,268 citations

Relationship of octanol/water partition coefficient and molecular weight to rat brain capillary permeability

1980 • 799 citations

Quantitative structure—chromatographic retention relationships

1988 • 643 citations

Development of a new physicochemical model for brain penetration and its application to the design of centrally acting H2 receptor histamine antagonists

1988 • 514 citations

Hydrophobicity and Central Nervous System Agents: On the Principle of Minimal Hydrophobicity in Drug Design

1987 • 418 citations

Chemometric methods in molecular design

1996 • 358 citations

The Probability of Chance Correlation Using Partial Least Squares (PLS)

1993 • 290 citations

Computation of Brain−Blood Partitioning of Organic Solutes via Free Energy Calculations

1996 • 199 citations

A method to determine the ability of drugs to diffuse through the blood-brain barrier.

1994 • 195 citations

Hydrogen-Bonding Capacity and Brain Penetration

1992 • 183 citations

Relationship between immobilised artificial membrane chromatographic retention and the brain penetration of structurally diverse drugs

1997 • 129 citations

Theoretical Calculation and Prediction of Brain–Blood Partitioning of Organic Solutes Using MolSurf Parametrization and PLS Statistics

1998 • 124 citations

Classical and Three-Dimensional QSAR in Agrochemistry

1995 • 105 citations

QSAR studies on drugs acting at the central nervous system

1989 • 82 citations

Predicting blood-brain transport of drugs: a computational approach.

1996 • 65 citations

Solubility Properties in Biological Media 9: Prediction of Solubility and Partition of Organic Nonelectrolytes in Blood and Tissues from Solvatochromic Parameters

1987 • 42 citations

Renin inhibitors containing .psi.[CH2O] pseudopeptide inserts

1988 • 37 citations

Brain drug delivery and blood–brain barrier transport

1996 • 20 citations

Designing Drugs for Optimal Nervous System Activity

1995 • 13 citations

Deleted Work

1955 • 0 citations