PubChemBioassayDataDataSet(PubChem数据库生物测定数据的数据集)_数据挖掘_科研数据集.pdfVIP

PubChem Bioassay Data Data Set （PubChem 数据库 生物测定数据的数据集） 英文关键词： PubChem Bioassay Data,bioassay datasets, Pubchem,UCI, 中文关键词： PubChem Bioassay Data,bioassay datasets, Pubchem,UCI, 数据格式： TEXT 数据介绍： Abstract: These highly imbalanced bioassay datasets are from the differing types of screening that can be performed using HTS technology. 21 datasets were created from 12 bioassays. Data Set Characteristics: Multivariate Number of Instances: N/A Area: Life Attribute Characteristics: Integer, Real Number of Attributes: N/A Date Donated 2011-03-29 Associated Tasks: Classification Missing Values? N/A Number of Web Hits: 1407 Source: Virtual Screening of Bioassay Data Amanda C Schierz,Smart Technology Research Centre, Bournemouth University, Talbot Campus, Poole, Dorset, BH12 5BB, UK Journal of Cheminformatics 2009, 1:21 doi:10.1186/1758-2946-1-21 Data Set Information: 21 bioassay datasets generated from Pubchem. Both Primary and confirmatory bioassays (12 bioassays, 21 mixes)The data is provided in the same train/test split as the original paper. The compound IDs have been provided in separate files in case people wish to generate their own molecular representation. The order of the compound Ids is the same as the data files. ? AID362 details the results of a primary screening bioassay for Formylpeptide Receptor Ligand Binding University from the New Mexico Center for Molecular Discovery. It is a relatively small dataset with 4279 compounds and with a ratio of 1 active to 70 inactive compounds (1.4% minority class). The compounds were selected on the basis of preliminary virtual screening of approximately 480,000 drug-like small molecules from Chemical Diversity Laboratories. ? AID456 is a primary screen assay from the Burnham Center for Chemical Genomics for inhibition of TNFa induced VCAM-1 cell surface expression and consists of 9,982 compounds with a ra