Comparing the performance of meta-classifiers—a case study on selected imbalanced data sets relevant for prediction of liver toxicity

Predicting Drug-Induced Cholestasis with the Help of Hepatic Transporters—An in Silico Modeling Approach

(2017) Eleni Kotsampasakou et al.   Journal of Chemical Information and Modeling

Computational Models for Human and Animal Hepatotoxicity with a Global Application Scope

(2016) Denis Mulliner et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Multilevel Weighted Support Vector Machine for Classification on Healthcare Data with Missing Values

(2016) Talayeh Razzaghi et al.   PLoS One

Rule-Based Classification Models of Molecular Autofluorescence

(2015) Bo-Han Su et al.   Journal of Chemical Information and Modeling

Identification of Novel Inhibitors of Organic Anion Transporting Polypeptides 1B1 and 1B3 (OATP1B1 and OATP1B3) Using a Consensus Vote of Six Classification Models

(2015) Eleni Kotsampasakou et al.   MOLECULAR PHARMACEUTICS

The SIDER database of drugs and side effects

(2015) Michael Kuhn et al.   NUCLEIC ACIDS RESEARCH

Classification of Hepatotoxicants Using HepG2 Cells: A Proof of Principle Study

(2014) Wim F. P. M. Van den Hof et al.   CHEMICAL RESEARCH IN TOXICOLOGY

QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem

(2014) Alexey V. Zakharov et al.   Journal of Chemical Information and Modeling

ProTox: a web server for the in silico prediction of rodent oral toxicity

(2014) Malgorzata N. Drwal et al.   NUCLEIC ACIDS RESEARCH

Development of Dimethyl Sulfoxide Solubility Models Using 163 000 Molecules: Using a Domain Applicability Metric to Select More Reliable Predictions

(2013) Igor V. Tetko et al.   Journal of Chemical Information and Modeling

Class-imbalanced classifiers for high-dimensional data

(2012) W.-J. Lin et al.   BRIEFINGS IN BIOINFORMATICS

In silico prediction of toxic action mechanisms of phenols for imbalanced data with Random Forest learner

(2012) Jing Chen et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Predicting disease risks from highly imbalanced data using random forest

(2011) Mohammed Khalilia et al.   BMC Medical Informatics and Decision Making

Analysis of preprocessing vs. cost-sensitive learning for imbalanced classification. Open problems on intrinsic data characteristics

(2011) Victoria López et al.   EXPERT SYSTEMS WITH APPLICATIONS

Drug-induced cholestasis

(2011) Manmeet S. Padda et al.   HEPATOLOGY

A Review on Ensembles for the Class Imbalance Problem: Bagging-, Boosting-, and Hybrid-Based Approaches

(2011) M. Galar et al.   IEEE TRANSACTIONS ON SYSTEMS MAN AND CYBERNETICS PART C-APPLICATIONS AND RE

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

(2011) Iurii Sushko et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Analysis and comparison of 2D fingerprints: Insights into database screening performance using eight fingerprint methods

(2010) Jianxin Duan et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

A side effect resource to capture phenotypic effects of drugs

(2010) Michael Kuhn et al.   Molecular Systems Biology

Learning from Imbalanced Data

(2009) Haibo He et al.   IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING

Virtual screening of bioassay data

(2009) Amanda C Schierz   Journal of Cheminformatics

Adaptive Weighted Learning for Unbalanced Multicategory Classification

(2008) Xingye Qiao et al.   BIOMETRICS