Prediction of Adverse Drug Reactions Using Decision Tree Modeling

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1986 • 13,981 citations

DREIDING: a generic force field for molecular simulations

1990 • 5,956 citations

Structural Determination of Paraffin Boiling Points

1947 • 3,851 citations

DrugBank: a comprehensive resource for in silico drug discovery and exploration

2005 • 3,635 citations

Characterization of molecular branching

1975 • 3,429 citations

The Chemistry Development Kit (CDK): An Open-Source Java Library for Chemo- and Bioinformatics

2003 • 996 citations

Similarity-based virtual screening using 2D fingerprints

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Development and use of charged partial surface area structural descriptors in computer-assisted quantitative structure-property relationship studies

1990 • 633 citations

Histological patterns in drug-induced liver disease

2009 • 297 citations

Metric Validation and the Receptor-Relevant Subspace Concept

1999 • 251 citations

Correlation of Boiling Points with Molecular Structure. 1. A Training Set of 298 Diverse Organics and a Test Set of 9 Simple Inorganics

1996 • 241 citations

Influence of Neighbor Bonds on Additive Bond Properties in Paraffins

1947 • 203 citations

The Szeged Index and an Analogy with the Wiener Index

1995 • 180 citations

Assessment of drug-induced hepatotoxicity in clinical practice: A challenge for gastroenterologists

2007 • 149 citations

General Definition of Valence Delta-Values for Molecular Connectivity

1983 • 113 citations

Pharmacodynamic analysis of tacrolimus and cyclosporine in living-donor liver transplant patients

2005 • 85 citations

Drug metabolite profiling and elucidation of drug-induced hepatotoxicity

2007 • 79 citations

Development of Decision Tree Models for Substrates, Inhibitors, and Inducers of P-Glycoprotein

2009 • 25 citations