Classifying modes of toxic action of molecules with electronic-structure informatics : application to imbalanced toxicity data of phenol derivatives to Tetrahymena pyriformis

• Material Type: 記事
• Title: Classifying modes of toxic action of molecules with electronic-structure informatics : application to imbalanced toxicity data of phenol derivatives to Tetrahymena pyriformis
• Author/Editor: Algafari Bakti Manggara; Kazufumi Ohkawa; Manabu Sugimoto
• Publication, Distribution, etc.: 日本 : The Chemical Society of Japan
• Publication Date: 2021-09-07
• Publication Date (W3CDTF): 2021-09-07
• Periodical title: Chemistry letters
• No. or year of volume/issue: 50(11)
• Volume: 50(11)
• ISSN (Periodical Title): 1348-0715
• ISSN-L (Periodical Title): 0366-7022
• Text Language Code: eng
• DOI: 10.1246/cl.210453; https://doi.org/10.1246/cl.210453
• Persistent ID (NDL): info:ndljp/pid/12299105; https://dl.ndl.go.jp/pid/12299105
• Collection: 障害者向け資料
• Collection (Materials For Handicapped People:1): テキストデータ
• Collection (particular): 国立国会図書館デジタルコレクション > 電子書籍・電子雑誌 > 学術機関 > 学協会; https://dl.ndl.go.jp/collections/B00043
• Acquisition Basis: オンライン資料収集制度
• Date Accepted (W3CDTF): 2022-06-13T20:11:05+09:00
• Date Captured (W3CDTF): 2022-06-03
• Format (IMT): application/pdf
• Access Restrictions: 国立国会図書館内限定公開
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• Availability of remote photoduplication service: 可
• Periodical Title (URI): https://www.journal.csj.jp/toc/cl/50/11
• Periodical Title (Persistent ID (NDL)): info:ndljp/pid/12299103; https://dl.ndl.go.jp/pid/12299103
• Data Provider (Database): 国立国会図書館 : 国立国会図書館デジタルコレクション; https://dl.ndl.go.jp

• Summary, etc.: コレクション : 国立国会図書館デジタルコレクション > 電子書籍・電子雑誌 > 学術機関 > 学協会
• DOI: 10.1246/cl.210453; https://doi.org/10.1246/cl.210453
• Access Restrictions: インターネット公開
• Related Material (URI): http://id.ndl.go.jp/digimeta/12299105; https://dl.ndl.go.jp/pid/12299105; http://www.journal.csj.jp/doi/pdf/10.1246/cl.210453
• References: In silico prediction of drug toxicity; https://cir.nii.ac.jp/crid/1360292621169986176; KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development; https://cir.nii.ac.jp/crid/1360855569134476032; Comparative study to predict toxic modes of action of phenols from molecular structures; https://cir.nii.ac.jp/crid/1360855569997881216; Determining the mechanisms of toxic action of phenols to <i>Tetrahymena pyriformis</i>; https://cir.nii.ac.jp/crid/1360855570429515264; QSAR Modeling of Imbalanced High-Throughput Screening Data in PubChem; https://cir.nii.ac.jp/crid/1361137044014017024; MOAtox: A comprehensive mode of action and acute aquatic toxicity database for predictive model development; https://cir.nii.ac.jp/crid/1361137045034902016; Machine learning-based models to predict modes of toxic action of phenols to <i>Tetrahymena pyriformis</i>; https://cir.nii.ac.jp/crid/1361137045470544896; Comparative assessment of methods to develop QSARs for the prediction of the toxicity of phenols to Tetrahymena pyriformis; https://cir.nii.ac.jp/crid/1361418518516258304; Biological Monitoring of 2,4,5-Trichlorophenol (II): Evaluation of an Enzyme-Linked Immunosorbent Assay for the Analysis of Water, Urine, and Serum Samples; https://cir.nii.ac.jp/crid/1361418518780528384; Phenol mechanism of toxic action classification and prediction: a decision tree approach; https://cir.nii.ac.jp/crid/1361699994812270720; A novel approach to generate robust classification models to predict developmental toxicity from imbalanced datasets; https://cir.nii.ac.jp/crid/1361699994958433792; Comparison of Different Classification Methods Applied to a Mode of Toxic Action Data Set; https://cir.nii.ac.jp/crid/1361699995653458432; Five-Feature Model for Developing the Classifier for Synergistic vs. Antagonistic Drug Combinations Built by XGBoost; https://cir.nii.ac.jp/crid/1361699996306503168; Some Alkyl Hydroxy Benzoate Preservatives (Parabens) Are Estrogenic; https://cir.nii.ac.jp/crid/1361981469871208448; Stepwise Discrimination between Four Modes of Toxic Action of Phenols in the <i>Tetrahymena pyriformis</i> Assay; https://cir.nii.ac.jp/crid/1362262943439213696; Semi-supervised Classification Based Mixed Sampling for Imbalanced Data; https://cir.nii.ac.jp/crid/1362825893311156736; SMOTE: Synthetic Minority Over-sampling Technique; https://cir.nii.ac.jp/crid/1363107370392803456; Estrogenic activity of phenolic additives determined by an in vitro yeast bioassay.; https://cir.nii.ac.jp/crid/1363388843976104320; An Electronic‐structure Informatics Study on the Toxicity of Alkylphenols to<i>Tetrahymena pyriformis</i>; https://cir.nii.ac.jp/crid/1363670320996323456; Extreme Gradient Boosting as a Method for Quantitative Structure–Activity Relationships; https://cir.nii.ac.jp/crid/1363951793240742912; Mode of Action (MOA) Assignment Classifications for Ecotoxicology: An Evaluation of Approaches; https://cir.nii.ac.jp/crid/1363951794956990720; Structure–activity relationship-based chemical classification of highly imbalanced Tox21 datasets; https://cir.nii.ac.jp/crid/1363951795779794432; Removal of phenolic compounds from synthetic wastewater using soybean peroxidase; https://cir.nii.ac.jp/crid/1364233270481996160; [Special Issue for Honor Award dedicating to Prof Kimito Funatsu]An Electronic-Structure Informatics Study on Inhibitory Activity of Natural Products against Fatty Acid Synthase; https://cir.nii.ac.jp/crid/1390565134811516032; Regression modeling and virtual screening of natural products exhibiting antibacterial activity. An application of electronic-structure informatics descriptors; https://cir.nii.ac.jp/crid/2051151842058116224
• References (URI): https://cir.nii.ac.jp/crid/1370290086833501708
• Data Provider (Database): 国立情報学研究所 : CiNii Research; https://cir.nii.ac.jp/
• Original Data Provider (Database): 雑誌記事索引データベース; https://ndlsearch.ndl.go.jp; Crossref; https://www.crossref.org; CiNii Articles
• Bibliographic ID (NDL): 12299105; http://id.ndl.go.jp/bib/12299105
• NAID: 130008113724