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How To Winnow Actives from Inactives: Introducing Molecular Orthogonal Sparse Bigrams (MOSBs) and Multiclass Winnow

https://doi.org/10.1021/ci700350n
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What this work says

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

inferredcites →https://doi.org/10.1007/s10822-007-9113-3openalex-snapshot
Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds
inferredcites →https://doi.org/10.1016/s0893-6080(02)00187-9openalex-snapshot
Clustering ensembles of neural network models
inferredcites →https://doi.org/10.1016/s0960-894x(01)00771-5openalex-snapshot
A neural network based virtual screening of cytochrome P450 3A4 inhibitors
inferredcites →https://doi.org/10.1021/ci034289qopenalex-snapshot
Virtual Screening Using Protein−Ligand Docking: Avoiding Artificial Enrichment
inferredcites →https://doi.org/10.1021/ci049898sopenalex-snapshot
4D-Fingerprints, Universal QSAR and QSPR Descriptors
inferredcites →https://doi.org/10.1021/ci0500177openalex-snapshot
A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication
inferredcites →https://doi.org/10.1021/ci050348jopenalex-snapshot
New Methods for Ligand-Based Virtual Screening: Use of Data Fusion and Machine Learning to Enhance the Effectiveness of Similarity Searching
inferredcites →https://doi.org/10.1021/ci050375+openalex-snapshot
Ensemble of Linear Models for Predicting Drug Properties
inferredcites →https://doi.org/10.1021/ci050397wopenalex-snapshot
Virtual Screening Using Binary Kernel Discrimination: Analysis of Pesticide Data
inferredcites →https://doi.org/10.1021/ci0601160openalex-snapshot
Chemoinformatics-Based Classification of Prohibited Substances Employed for Doping in Sport
inferredcites →https://doi.org/10.1021/ci060138mopenalex-snapshot
The Pharmacophore Kernel for Virtual Screening with Support Vector Machines
inferredcites →https://doi.org/10.1021/ci600332jopenalex-snapshot
Contemporary QSAR Classifiers Compared
inferredcites →https://doi.org/10.1039/b409865jopenalex-snapshot
Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures
inferredcites →https://doi.org/10.1042/bst0310603openalex-snapshot
Similarity-based approaches to virtual screening
inferredcites →https://doi.org/10.2174/1389557043402964openalex-snapshot
Physicochemical Descriptors in Property-Based Drug Design
inferredcites →https://doi.org/10.7551/mitpress/1120.001.0001openalex-snapshot
Advances in Neural Information Processing Systems 14

What points at this work

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

inferred← citeshttps://doi.org/10.1002/ddr.20410openalex-snapshot
In silico structure‐activity‐relationship (SAR) models from machine learning: a review
inferred← citeshttps://doi.org/10.1002/minf.201000159openalex-snapshot
Development and Comparison of hERG Blocker Classifiers: Assessment on Different Datasets Yields Markedly Different Results
inferred← citeshttps://doi.org/10.1002/wcms.1183openalex-snapshot
Machine learning methods in chemoinformatics
inferred← citeshttps://doi.org/10.1016/j.drudis.2014.01.006openalex-snapshot
Addressing toxicity risk when designing and selecting compounds in early drug discovery
inferred← citeshttps://doi.org/10.1016/j.taap.2008.05.007openalex-snapshot
Toxicological relationships between proteins obtained from protein target predictions of large toxicity databases
inferred← citeshttps://doi.org/10.1021/ci200128wopenalex-snapshot
Classifying Molecules Using a Sparse Probabilistic Kernel Binary Classifier
inferred← citeshttps://doi.org/10.1021/ci200303mopenalex-snapshot
Note on Naive Bayes Based on Binary Descriptors in Cheminformatics
inferred← citeshttps://doi.org/10.1021/ci800079xopenalex-snapshot
Ligand-Target Prediction Using Winnow and Naive Bayesian Algorithms and the Implications of Overall Performance Statistics
inferred← citeshttps://doi.org/10.1021/ci900074topenalex-snapshot
Novel Application of 2D and 3D-Similarity Searches To Identify Substrates among Cytochrome P450 2C9, 2D6, and 3A4
inferred← citeshttps://doi.org/10.1021/ci900419kopenalex-snapshot
Current Trends in Ligand-Based Virtual Screening: Molecular Representations, Data Mining Methods, New Application Areas, and Performance Evaluation
inferred← citeshttps://doi.org/10.1093/carcin/bgy159openalex-snapshot
An olive oil phenolic is a new chemotype of mutant isocitrate dehydrogenase 1 (IDH1) inhibitors
inferred← citeshttps://doi.org/10.1111/acel.12772openalex-snapshot
Metformin directly targets the H3K27me3 demethylase KDM6A/UTX
inferred← citeshttps://doi.org/10.11606/d.75.2011.tde-17042012-103806openalex-snapshot
Sobre os estudos metabólicos de fármacos empregando-se atividade enzimática de CYP450 visando-se estabelecer correlações entre estrutura e atividade
inferred← citeshttps://doi.org/10.11606/d.75.2012.tde-17042012-103806openalex-snapshot
Sobre os estudos metabólicos de fármacos empregando-se atividade enzimática de CYP450 visando-se estabelecer correlações entre estrutura e atividade
inferred← citeshttps://doi.org/10.1186/1758-2946-4-s1-o6openalex-snapshot
Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets
inferred← citeshttps://doi.org/10.1517/17425255.2011.611501openalex-snapshot
Computational modeling of P450s for toxicity prediction
inferred← citeshttps://doi.org/10.17863/cam.16274openalex-snapshot
Molecular Similarity and Xenobiotic Metabolism
inferred← citeshttps://doi.org/10.2174/1389200218666170316093301openalex-snapshot
Drug Metabolism in Preclinical Drug Development: A Survey of the Discovery Process, Toxicology, and Computational Tools
inferred← citeshttps://doi.org/10.4155/fmc.11.11openalex-snapshot
Informatics, Machine Learning and Computational Medicinal Chemistry
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