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A Comprehensive Support Vector Machine Binary hERG Classification Model Based on Extensive but Biased End Point hERG Data Sets
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What this work says
Outgoing claims: the papers this work cites, builds on, or argues with.
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A Virtual Screening Method for Prediction of the hERG Potassium Channel Liability of Compound Libraries
inferredcites →https://doi.org/10.1002/cmdc.200500047openalex-snapshot
An Accurate and Interpretable Bayesian Classification Model for Prediction of hERG Liability
inferredcites →https://doi.org/10.1002/cmdc.200500099openalex-snapshot
In Silico Classification of hERG Channel Blockers: a Knowledge‐Based Strategy
inferredcites →https://doi.org/10.1002/med.20019openalex-snapshot
QT prolongation through hERG K+ channel blockade: Current knowledge and strategies for the early prediction during drug development
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The Nature of Statistical Learning Theory
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Applying Support Vector Machines to Imbalanced Datasets
inferredcites →https://doi.org/10.1007/s10822-006-9095-6openalex-snapshot
Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data
inferredcites →https://doi.org/10.1007/s10822-008-9192-9openalex-snapshot
Utilizing high throughput screening data for predictive toxicology models: protocols and application to MLSCN assays
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Iterative partial equalization of orbital electronegativity—a rapid access to atomic charges
inferredcites →https://doi.org/10.1016/0092-8674(95)90340-2openalex-snapshot
A mechanistic link between an inherited and an acquird cardiac arrthytmia: HERG encodes the IKr potassium channel
inferredcites →https://doi.org/10.1016/j.bmc.2005.12.030openalex-snapshot
Prediction of hERG potassium channel affinity by the CODESSA approach
inferredcites →https://doi.org/10.1016/j.bmc.2006.03.043openalex-snapshot
Determination of hERG channel blockers using a decision tree
inferredcites →https://doi.org/10.1016/j.bmc.2008.01.017openalex-snapshot
A binary QSAR model for classification of hERG potassium channel blockers
inferredcites →https://doi.org/10.1016/j.bmc.2008.04.028openalex-snapshot
Support vector machines classification of hERG liabilities based on atom types
inferredcites →https://doi.org/10.1016/j.bmcl.2005.03.062openalex-snapshot
Predictive models for hERG potassium channel blockers
inferredcites →https://doi.org/10.1016/j.bmcl.2005.03.080openalex-snapshot
A discriminant model constructed by the support vector machine method for HERG potassium channel inhibitors
inferredcites →https://doi.org/10.1016/j.pbiomolbio.2003.09.001openalex-snapshot
HERG binding specificity and binding site structure: evidence from a fragment-based evolutionary computing SAR study
inferredcites →https://doi.org/10.1016/s0960-894x(03)00196-3openalex-snapshot
Characterization of HERG potassium channel inhibition using CoMSiA 3D QSAR and homology modeling approaches
inferredcites →https://doi.org/10.1016/s0960-894x(03)00492-xopenalex-snapshot
Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods
inferredcites →https://doi.org/10.1021/ci00020a020openalex-snapshot
Application of Genetic Function Approximation to Quantitative Structure-Activity Relationships and Quantitative Structure-Property Relationships
inferredcites →https://doi.org/10.1021/ci0100090openalex-snapshot
Estimation of Molecular Similarity Based on 4D-QSAR Analysis: Formalism and Validation
inferredcites →https://doi.org/10.1021/ci030304fopenalex-snapshot
A Universal Molecular Descriptor System for Prediction of LogP, LogS, LogBB, and Absorption
inferredcites →https://doi.org/10.1021/ci049898sopenalex-snapshot
4D-Fingerprints, Universal QSAR and QSPR Descriptors
inferredcites →https://doi.org/10.1021/ci050308fopenalex-snapshot
Development and Evaluation of an in Silico Model for hERG Binding
inferredcites →https://doi.org/10.1021/ci050450gopenalex-snapshot
Quantitative Structure−Activity Relationship Studies on Inhibition of HERG Potassium Channels
inferredcites →https://doi.org/10.1021/ci100081jopenalex-snapshot
In Silico Binary Classification QSAR Models Based on 4D-Fingerprints and MOE Descriptors for Prediction of hERG Blockage
inferredcites →https://doi.org/10.1021/ci7000633openalex-snapshot
Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties
inferredcites →https://doi.org/10.1021/ci800304topenalex-snapshot
Similarity-Based Classifier Using Topomers to Provide a Knowledge Base for hERG Channel Inhibition
inferredcites →https://doi.org/10.1021/ci990307lopenalex-snapshot
Prediction of Physicochemical Parameters by Atomic Contributions
inferredcites →https://doi.org/10.1021/ja00467a001openalex-snapshot
Conformational analysis. 130. MM2. A hydrocarbon force field utilizing V1 and V2 torsional terms
inferredcites →https://doi.org/10.1021/mp700124eopenalex-snapshot
hERG Classification Model Based on a Combination of Support Vector Machine Method and GRIND Descriptors
inferredcites →https://doi.org/10.1021/tx060230copenalex-snapshot
A Novel Approach Using Pharmacophore Ensemble/Support Vector Machine (PhE/SVM) for Prediction of hERG Liability
inferredcites →https://doi.org/10.1021/tx800035bopenalex-snapshot
hERG Potassium Channels and the Structural Basis of Drug-Induced Arrhythmias
inferredcites →https://doi.org/10.1021/tx800063ropenalex-snapshot
Shape Signatures: New Descriptors for Predicting Cardiotoxicity In Silico
inferredcites →https://doi.org/10.1080/00401706.1999.10485951openalex-snapshot
Statistical Learning Theory
inferredcites →https://doi.org/10.1080/10629360412331297353openalex-snapshot
Prediction of hERG K+ blocking potency: Application of structural knowledge
inferredcites →https://doi.org/10.1093/bioinformatics/btp589openalex-snapshot
A novel method for mining highly imbalanced high-throughput screening data in PubChem
inferredcites →https://doi.org/10.1093/nar/gkp456openalex-snapshot
PubChem: a public information system for analyzing bioactivities of small molecules
inferredcites →https://doi.org/10.1109/tkde.2005.95openalex-snapshot
KBA: kernel boundary alignment considering imbalanced data distribution
inferredcites →https://doi.org/10.1109/tsmcb.2008.2002909openalex-snapshot
SVMs Modeling for Highly Imbalanced Classification
inferredcites →https://doi.org/10.1111/j.1365-2753.2005.00598.xopenalex-snapshot
Measuring diagnostic and predictive accuracy in disease management: an introduction to receiver operating characteristic (ROC) analysis
inferredcites →https://doi.org/10.1145/1007730.1007739openalex-snapshot
Extreme re-balancing for SVMs
inferredcites →https://doi.org/10.2174/187152507779315787openalex-snapshot
Computer Prediction of Cardiovascular and Hematological Agents by Statistical Learning Methods
inferredcites →https://doi.org/10.3233/ida-2002-6504openalex-snapshot
The class imbalance problem: A systematic study1
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Incoming claims: where this work appears in other papers’ reference lists and arguments.
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Long QT syndrome in chromosome 7q35q36.3 deletion involving KCNH2 gene: Warning for chlorpheniramine prescription
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Prediction of hERG Potassium Channel Blocking Actions Using Combination of Classification and Regression Based Models: A Mixed Descriptors Approach
inferred← citeshttps://doi.org/10.1002/slct.202201221openalex-snapshot
A Review of Computational Methods in Predicting hERG Channel Blockers
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Computational investigations of hERG channel blockers: New insights and current predictive models
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inferred← citeshttps://doi.org/10.1021/ci200271dopenalex-snapshot
A Critical Assessment of Combined Ligand- and Structure-Based Approaches to hERG Channel Blocker Modeling
inferred← citeshttps://doi.org/10.1021/ci300060bopenalex-snapshot
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QSAR Modeling and Data Mining Link Torsades de Pointes Risk to the Interplay of Extent of Metabolism, Active Transport, and hERG Liability
inferred← citeshttps://doi.org/10.1038/aps.2014.35openalex-snapshot
Novel Bayesian classification models for predicting compounds blocking hERG potassium channels
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In silico prediction of hERG potassium channel blockage by chemical category approaches
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Global Analysis Reveals Families of Chemical Motifs Enriched for hERG Inhibitors
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