Effect of Dataset Size and Train/Test Split Ratios in QSAR/QSPR Multiclass Classification

Ensemble Learning Approaches to Data Imbalance and Competing Objectives in Design of an Industrial Machine Vision System

(2020) Petar Žuvela et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

(2020) C. Škuta et al.   Journal of Cheminformatics

Measuring Performance Metrics of Machine Learning Algorithms for Detecting and Classifying Transposable Elements

(2020) Simon Orozco-Arias et al.   Processes

HIBoost: A hubness-aware ensemble learning algorithm for high-dimensional imbalanced data classification

(2020) Qin Wu et al.   JOURNAL OF INTELLIGENT & FUZZY SYSTEMS

Binary and multi-class classification for androgen receptor agonists, antagonists and binders

(2020) Geven Piir et al.   CHEMOSPHERE

Predicting molecular activity on nuclear receptors by multitask neural networks

(2020) Cecile Valsecchi et al.   JOURNAL OF CHEMOMETRICS

Enhancing techniques for learning decision trees from imbalanced data

(2019) Ikram Chaabane et al.   Advances in Data Analysis and Classification

Intercorrelation Limits in Molecular Descriptor Preselection for QSAR/QSPR

(2019) Anita Rácz et al.   Molecular Informatics

Multi-Level Comparison of Machine Learning Classifiers and Their Performance Metrics

(2019) Rácz et al.   MOLECULES

The impact of class imbalance in classification performance metrics based on the binary confusion matrix

(2019) Amalia Luque et al.   PATTERN RECOGNITION

Deep Learning-Based Structure-Activity Relationship Modeling for Multi-Category Toxicity Classification: A Case Study of 10K Tox21 Chemicals With High-Throughput Cell-Based Androgen Receptor Bioassay Data

(2019) Gabriel Idakwo et al.   Frontiers in Physiology

Ensemble of Classifiers Based on Multiobjective Genetic Sampling for Imbalanced Data

(2019) Everlandio R. Q. Fernandes et al.   IEEE TRANSACTIONS ON KNOWLEDGE AND DATA ENGINEERING

AECID: Asymmetric entropy for classifying imbalanced data

(2018) Radhouane Guermazi et al.   INFORMATION SCIENCES

Predicting Fraction Unbound in Human Plasma from Chemical Structure: Improved Accuracy in the Low Value Ranges

(2018) Reiko Watanabe et al.   MOLECULAR PHARMACEUTICS

A systematic study of the class imbalance problem in convolutional neural networks

(2018) Mateusz Buda et al.   NEURAL NETWORKS

Clustering-based undersampling in class-imbalanced data

(2017) Wei-Chao Lin et al.   INFORMATION SCIENCES

Binary classification of imbalanced datasets using conformal prediction

(2017) Ulf Norinder et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Generic performance measure for multiclass-classifiers

(2017) Thomas Kautz et al.   PATTERN RECOGNITION

Bayes' theorem

(2015) Jorge López Puga et al.   NATURE METHODS

Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?

(2015) Dávid Bajusz et al.   Journal of Cheminformatics

QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem

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

A novel approach to generate robust classification models to predict developmental toxicity from imbalanced datasets

(2014) S.B. Gunturi et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Class-imbalanced classifiers for high-dimensional data

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

Extreme Learning Machine for Regression and Multiclass Classification

(2011) Guang-Bin Huang et al.   IEEE TRANSACTIONS ON SYSTEMS MAN AND CYBERNETICS PART B-CYBERNETICS

Support Vector Machines for classification and regression

(2009) Richard G. Brereton et al.   ANALYST

A systematic analysis of performance measures for classification tasks

(2009) Marina Sokolova et al.   INFORMATION PROCESSING & MANAGEMENT

Sum of ranking differences compares methods or models fairly

(2009) Károly Héberger   TRAC-TRENDS IN ANALYTICAL CHEMISTRY

Classifier ensembles: Select real-world applications

(2007) Nikunj C. Oza et al.   Information Fusion