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Boosting: An Ensemble Learning Tool for Compound Classification and QSAR Modeling

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What this work says

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

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Multiple Classifier Systems
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A Decision-Theoretic Generalization of On-Line Learning and an Application to Boosting
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Applying data mining techniques to library design, lead generation and lead optimization
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Stochastic gradient boosting
inferredcites →https://doi.org/10.1016/s0925-2312(03)00431-4openalex-snapshot
The support vector machine under test
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Atom pairs as molecular features in structure-activity studies: definition and applications
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Computer code for producing Eh-pH plots of equilibrium chemical systems
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Decision Forest: Combining the Predictions of Multiple Independent Decision Tree Models
inferredcites →https://doi.org/10.1021/ci030283popenalex-snapshot
Use of Robust Classification Techniques for the Prediction of Human Cytochrome P450 2D6 Inhibition
inferredcites →https://doi.org/10.1021/ci034023jopenalex-snapshot
Use of Recursion Forests in the Sequential Screening Process: Consensus Selection by Multiple Recursion Trees
inferredcites →https://doi.org/10.1021/ci034160gopenalex-snapshot
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling
inferredcites →https://doi.org/10.1021/ci034188sopenalex-snapshot
Induction of Decision Trees via Evolutionary Programming
inferredcites →https://doi.org/10.1021/ci9800211openalex-snapshot
Chemical Similarity Searching
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Analysis of a Large Structure/Biological Activity Data Set Using Recursive Partitioning
inferredcites →https://doi.org/10.1021/jm000244uopenalex-snapshot
Classification of Multidrug-Resistance Reversal Agents Using Structure-Based Descriptors and Linear Discriminant Analysis
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Novel piperidine .sigma. receptor ligands as potential antipsychotic drugs
inferredcites →https://doi.org/10.1021/jm020472jopenalex-snapshot
Informative Library Design as an Efficient Strategy to Identify and Optimize Leads: Application to Cyclin-Dependent Kinase 2 Antagonists
inferredcites →https://doi.org/10.1021/jm0255062openalex-snapshot
A Computational Ensemble Pharmacophore Model for Identifying Substrates of P-Glycoprotein
inferredcites →https://doi.org/10.1021/jm9602928openalex-snapshot
The Properties of Known Drugs. 1. Molecular Frameworks
inferredcites →https://doi.org/10.1021/jm9903996openalex-snapshot
Properties of Known Drugs. 2. Side Chains
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Investigation of classification methods for the prediction of activity in diverse chemical libraries
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In silico models for the prediction of dose-dependent human hepatotoxicity
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Predicting CNS Permeability of Drug Molecules: Comparison of Neural Network and Support Vector Machine Algorithms
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Quantitative Structure-Activity Relationship of Multidrug Resistance Reversal Agents
inferredcites →https://doi.org/10.1162/089976600300015178openalex-snapshot
Boosting Neural Networks
inferredcites →https://doi.org/10.1214/aos/1013203451openalex-snapshot
Greedy function approximation: A gradient boosting machine.
inferredcites →https://doi.org/10.1214/aos/1024691079openalex-snapshot
Arcing classifier (with discussion and a rejoinder by the author)
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Structure-activity relationship approaches and applications
inferredcites →https://doi.org/10.5860/choice.41-0300openalex-snapshot
The Handbook of brain theory and neural networks

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Multivariate statistical analysis methods in QSAR
inferred← citeshttps://doi.org/10.1039/d0cs00098aopenalex-snapshot
QSAR without borders
inferred← citeshttps://doi.org/10.1039/d2cp03724fopenalex-snapshot
Unveiling the structural features that regulate carbapenem deacylation in KPC-2 through QM/MM and interpretable machine learning
inferred← citeshttps://doi.org/10.1063/5.0160228openalex-snapshot
Prediction by a hybrid machine learning model for high-mobility amorphous In2O3: Sn films fabricated by RF plasma sputtering deposition using a nitrogen-mediated amorphization method
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A Partial Least Squares‐Based Consensus Regression Method for the Analysis of Near‐Infrared Complex Spectral Data of Plant Samples
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A Novel Multi-Neural Ensemble Approach for Cancer Diagnosis
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A modified uncorrelated linear discriminant analysis model coupled with recursive feature elimination for the prediction of bioactivity
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Structure–activity relationship study of trifluoromethylketone inhibitors of insect juvenile hormone esterase: Comparison of several classification methods
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Mathematical structural descriptors and mutagenicity assessment: a study with congeneric and diverse datasets$
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Computational approaches for innovative antiepileptic drug discovery
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Pandemics, Income Inequality, and Refugees: The Case of COVID-19
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A Closer Look at the Kernels Generated by the Decision and Regression Tree Ensembles
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Do we need different machine learning algorithms for QSAR modeling? A comprehensive assessment of 16 machine learning algorithms on 14 QSAR data sets
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BioMedR: an R/CRAN package for integrated data analysis pipeline in biomedical study
inferred← citeshttps://doi.org/10.1093/bioinformatics/btaa717openalex-snapshot
Expression-based prediction of human essential genes and candidate lncRNAs in cancer cells
inferred← citeshttps://doi.org/10.1093/bioinformatics/btad056openalex-snapshot
MFR-DTA: a multi-functional and robust model for predicting drug–target binding affinity and region
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Computational Prediction of Cervical Cancer Diagnosis Using Ensemble-Based Classification Algorithm
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Computational Model for Prediction of Malignant Mesothelioma Diagnosis
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Federated Ensemble YOLOv5 – A Better Generalized Object Detection Algorithm
inferred← citeshttps://doi.org/10.1109/iaeac47372.2019.8998080openalex-snapshot
The Application of Tobacco Product Quality Prediction Using Ensemble Learning Method
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Graph Memory Networks for Molecular Activity Prediction
inferred← citeshttps://doi.org/10.1109/icrcicn50933.2020.9296180openalex-snapshot
VIRTECS: Virtual Screening Of Therapeutic Classes Using Encodings Of Chemical Structures
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Machine Learning Analysis on Gunshot Recognition
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COX-2 activity prediction in Chinese medicine using neural network based ensemble learning methods
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EDL-COVID: Ensemble Deep Learning for COVID-19 Case Detection From Chest X-Ray Images
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Multi-Agent Hierarchical Deep Reinforcement Learning for HVAC Control With Flexible DERs
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Rough Sets for Selection of Molecular Descriptors to Predict Biological Activity of Molecules
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Improving prediction performance using ensemble neural networks in textile sector
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A combined drug discovery strategy based on machine learning and molecular docking
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A comprehensive data‐level investigation of cancer diagnosis on imbalanced data
inferred← citeshttps://doi.org/10.1111/j.1420-9101.2012.02497.xopenalex-snapshot
Machine learning identifies specific habitats associated with genetic connectivity in Hyla squirella
inferred← citeshttps://doi.org/10.1111/j.1539-6924.2012.01792.xopenalex-snapshot
Confronting Deep Uncertainties in Risk Analysis
inferred← citeshttps://doi.org/10.1134/s1070363210120248openalex-snapshot
Computational methods and software in computer-aided combinatorial library design
inferred← citeshttps://doi.org/10.1146/annurev-biodatasci-122120-124216openalex-snapshot
Machine Learning in Chemoinformatics and Medicinal Chemistry
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Development of Conformation Independent Computational Models for the Early Recognition of Breast Cancer Resistance Protein Substrates
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How to Use Advanced Fleet Management System to Promote Energy Saving in Transportation: A Survey of Drivers’ Awareness of Fuel-Saving Factors
inferred← citeshttps://doi.org/10.1186/s13321-016-0164-0openalex-snapshot
An ensemble model of QSAR tools for regulatory risk assessment
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SimBoost: a read-across approach for predicting drug–target binding affinities using gradient boosting machines
inferred← citeshttps://doi.org/10.1186/s13321-020-00438-3openalex-snapshot
Quantitative prediction of selectivity between the A1 and A2A adenosine receptors
inferred← citeshttps://doi.org/10.1186/s13321-021-00532-0openalex-snapshot
Charged aerosol detector response modeling for fatty acids based on experimental settings and molecular features: a machine learning approach
inferred← citeshttps://doi.org/10.1186/s13321-024-00855-8openalex-snapshot
Consensus holistic virtual screening for drug discovery: a novel machine learning model approach
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A Bias Correction Algorithm for the Gini Variable Importance Measure in Classification Trees
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Classification of cardiotocograms using random forest classifier and selection of important features from cardiotocogram signal
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Computational Analysis and Predictive Cheminformatics Modeling of Small Molecule Inhibitors of Epigenetic Modifiers
inferred← citeshttps://doi.org/10.1517/17425250902753261openalex-snapshot
The use of machine learning and nonlinear statistical tools for ADME prediction
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Advances in computational methods to predict the biological activity of compounds
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Decision tree models for data mining in hit discovery
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Moving Towards Predictive Toxicology - A Systems Biology Approach
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Features extraction using random matrix theory.
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Mitigating Error Propagation in Generative AI via Dimensionality Modulation as a Method for Safe Biomedical Dataset Augmentation
inferred← citeshttps://doi.org/10.2147/rmhp.s319405openalex-snapshot
Health Data-Driven Machine Learning Algorithms Applied to Risk Indicators Assessment for Chronic Kidney Disease
inferred← citeshttps://doi.org/10.2174/1574893611666151109193016openalex-snapshot
Integrated Application of Enhanced Replacement Method and Ensemble Learning for the Prediction of BCRP/ABCG2 Substrates
inferred← citeshttps://doi.org/10.2197/ipsjdc.4.238openalex-snapshot
A Combination Method of the Tanimoto Coefficient and Proximity Measure of Random Forest for Compound Activity Prediction
inferred← citeshttps://doi.org/10.2217/14622416.7.4.543openalex-snapshot
Assessing Performance of Prediction Rules in Machine Learning
inferred← citeshttps://doi.org/10.2217/14622416.7.7.1003openalex-snapshot
Toxicogenomics Strategies for Predicting Drug Toxicity
inferred← citeshttps://doi.org/10.22201/icat.24486736e.2023.21.5.2074openalex-snapshot
Analysis & Prediction of New York City Taxi and Uber Demands
inferred← citeshttps://doi.org/10.3233/ida-220383openalex-snapshot
Oversampling method based on GAN for tabular binary classification problems
inferred← citeshttps://doi.org/10.3233/jifs-190821openalex-snapshot
HIBoost: A hubness-aware ensemble learning algorithm for high-dimensional imbalanced data classification
inferred← citeshttps://doi.org/10.3311/minisy2023-011openalex-snapshot
Transfer Learning in Heterogeneous Drug-Target Interaction Predictions Using Federated Boosting
inferred← citeshttps://doi.org/10.3389/fendo.2022.849549openalex-snapshot
Identifying Pupylation Proteins and Sites by Incorporating Multiple Methods
inferred← citeshttps://doi.org/10.3390/app12136498openalex-snapshot
Network Attack Detection Method of the Cyber-Physical Power System Based on Ensemble Learning
inferred← citeshttps://doi.org/10.3390/app12188967openalex-snapshot
Enhanced Arabic Sentiment Analysis Using a Novel Stacking Ensemble of Hybrid and Deep Learning Models
inferred← citeshttps://doi.org/10.3390/biomedinformatics2040034openalex-snapshot
A Biomedical Case Study Showing That Tuning Random Forests Can Fundamentally Change the Interpretation of Supervised Data Structure Exploration Aimed at Knowledge Discovery
inferred← citeshttps://doi.org/10.3390/ma14030542openalex-snapshot
Predictive Models for the Binary Diffusion Coefficient at Infinite Dilution in Polar and Nonpolar Fluids
inferred← citeshttps://doi.org/10.3390/molecules180910789openalex-snapshot
Enhanced QSAR Model Performance by Integrating Structural and Gene Expression Information
inferred← citeshttps://doi.org/10.3390/rs13193945openalex-snapshot
A Two-Round Weight Voting Strategy-Based Ensemble Learning Method for Sea Ice Classification of Sentinel-1 Imagery
inferred← citeshttps://doi.org/10.3390/s21113941openalex-snapshot
An Ensemble Learning Method for Robot Electronic Nose with Active Perception
inferred← citeshttps://doi.org/10.3390/s21144944openalex-snapshot
Classification of the Acoustics of Loose Gravel
inferred← citeshttps://doi.org/10.3390/s22093401openalex-snapshot
Human Activity Recognition Data Analysis: History, Evolutions, and New Trends
inferred← citeshttps://doi.org/10.3390/s22103707openalex-snapshot
Heterogeneous Ensemble Deep Learning Model for Enhanced Arabic Sentiment Analysis
inferred← citeshttps://doi.org/10.3390/s22114147openalex-snapshot
Dermoscopic Image Classification Method Using an Ensemble of Fine-Tuned Convolutional Neural Networks
inferred← citeshttps://doi.org/10.3390/s24103105openalex-snapshot
Early Identification of Rotten Potatoes Using an Electronic Nose Based on Feature Discretization and Ensemble Convolutional Neural Network
inferred← citeshttps://doi.org/10.3390/s24216858openalex-snapshot
Airborne LiDAR Point Cloud Classification Using Ensemble Learning for DEM Generation
inferred← citeshttps://doi.org/10.35537/10915/136180openalex-snapshot
Desarrollo de filtros in silico orientados a optimizar el desarrollo de nuevos fármacos destinados al sistema nervioso central
inferred← citeshttps://doi.org/10.35537/10915/57704openalex-snapshot
Topología molecular aplicada al reconocimiento de sustratos de la Proteína de Resistencia del Cáncer de Mama (BCRP)
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