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Accurate and Interpretable Computational Modeling of Chemical Mutagenicity

https://doi.org/10.1021/ci800094a
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What this work says

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

inferredcites →https://doi.org/10.1007/978-0-387-21706-2_12openalex-snapshot
Classification
inferredcites →https://doi.org/10.1007/bf00994018openalex-snapshot
Support-Vector Networks
inferredcites →https://doi.org/10.1007/s11030-005-9001-5openalex-snapshot
Lazy structure-activity relationships (lazar) for the prediction of rodent carcinogenicity and Salmonella mutagenicity
inferredcites →https://doi.org/10.1016/j.bmc.2004.02.003openalex-snapshot
A model for identifying HERG K+ channel blockers
inferredcites →https://doi.org/10.1016/s0027-5107(01)00289-5openalex-snapshot
Distributed structure-searchable toxicity (DSSTox) public database network: a proposal
inferredcites →https://doi.org/10.1017/s0080456800028155openalex-snapshot
V.—On the Connection between Chemical Constitution and Physiological Action. Part. I.—On the Physiological Action of the Salts of the Ammonium Bases, derived from Strychnia, Brucia, Thebaia, Codeia, Morphia, and Nicotia
inferredcites →https://doi.org/10.1021/ci00046a002openalex-snapshot
Atom pairs as molecular features in structure-activity studies: definition and applications
inferredcites →https://doi.org/10.1021/ci049714+openalex-snapshot
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
inferredcites →https://doi.org/10.1021/ci050400bopenalex-snapshot
The Blue Obelisk—Interoperability in Chemical Informatics
inferredcites →https://doi.org/10.1021/jm040835aopenalex-snapshot
Derivation and Validation of Toxicophores for Mutagenicity Prediction
inferredcites →https://doi.org/10.1021/jm049092jopenalex-snapshot
Virtual Screening Workflow Development Guided by the “Receiver Operating Characteristic” Curve Approach. Application to High-Throughput Docking on Metabotropic Glutamate Receptor Subtype 4
inferredcites →https://doi.org/10.1021/jm051139topenalex-snapshot
Robust Ligand-Based Modeling of the Biological Targets of Known Drugs
inferredcites →https://doi.org/10.1038/nrd2378openalex-snapshot
The application of discovery toxicology and pathology towards the design of safer pharmaceutical lead candidates
inferredcites →https://doi.org/10.1093/bioinformatics/bti623openalex-snapshot
ROCR: visualizing classifier performance in R
inferredcites →https://doi.org/10.1093/nar/gkj067openalex-snapshot
DrugBank: a comprehensive resource for in silico drug discovery and exploration
inferredcites →https://doi.org/10.1093/nar/gkm958openalex-snapshot
DrugBank: a knowledgebase for drugs, drug actions and drug targets
inferredcites →https://doi.org/10.1111/j.1467-985x.2010.00646_6.xopenalex-snapshot
The Elements of Statistical Learning: Data Mining, Inference, and Prediction
inferredcites →https://doi.org/10.1289/ehp.919611openalex-snapshot
The Carcinogenic Potency Database: Analyses of 4000 Chronic Animal Cancer Experiments Published in the General Literature and by the U.S. National Cancer Institute/National Toxicology Program

What points at this work

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

inferred← citeshttps://doi.org/10.1002/chin.200851216openalex-snapshot
ChemInform Abstract: Accurate and Interpretable Computational Modeling of Chemical Mutagenicity.
inferred← citeshttps://doi.org/10.1002/ddr.20428openalex-snapshot
Role of mathematical chemodescriptors and proteomics‐based biodescriptors in drug discovery
inferred← citeshttps://doi.org/10.1002/fft2.78openalex-snapshot
Interpretable machine learning methods for in vitro pharmaceutical formulation development
inferred← citeshttps://doi.org/10.1002/minf.200900079openalex-snapshot
Ensemble Rule‐Based Classification of Substrates of the Human ABC‐Transporter ABCB1 Using Simple Physicochemical Descriptors
inferred← citeshttps://doi.org/10.1007/s10822-012-9595-5openalex-snapshot
Integrated in silico approaches for the prediction of Ames test mutagenicity
inferred← citeshttps://doi.org/10.1007/s10822-015-9854-3openalex-snapshot
Many InChIs and quite some feat
inferred← citeshttps://doi.org/10.1007/s11030-010-9232-yopenalex-snapshot
Prediction of carcinogenicity for diverse chemicals based on substructure grouping and SVM modeling
inferred← citeshttps://doi.org/10.1016/j.drudis.2009.09.010openalex-snapshot
Computational toxicology—a tool for early safety evaluation
inferred← citeshttps://doi.org/10.1021/ci200075gopenalex-snapshot
Identification of Toxifying and Detoxifying Moieties for Mutagenicity Prediction by Priority Assessment
inferred← citeshttps://doi.org/10.1021/ci300254wopenalex-snapshot
Automating Knowledge Discovery for Toxicity Prediction Using Jumping Emerging Pattern Mining
inferred← citeshttps://doi.org/10.1021/ci900378xopenalex-snapshot
An in Silico Method for Predicting Ames Activities of Primary Aromatic Amines by Calculating the Stabilities of Nitrenium Ions
inferred← citeshttps://doi.org/10.1039/b818744dopenalex-snapshot
Reaction energies computed with density functional theory correspond with a whole organism effect; modelling the Ames test for mutagenicity
inferred← citeshttps://doi.org/10.1186/1758-2946-3-33openalex-snapshot
Open Babel: An open chemical toolbox
inferred← citeshttps://doi.org/10.2174/9789815196986123010006openalex-snapshot
Computational Toxicological Approaches for Drug Profiling and Development of Online Clinical Repositories
inferred← citeshttps://doi.org/10.2788/26123openalex-snapshot
Review of QSAR Models and Software Tools for Predicting of Genotoxicity and Carcinogenicity
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