Accessing Public Compound Databases with KNIME

التفاصيل البيبلوغرافية
العنوان: Accessing Public Compound Databases with KNIME
المؤلفون: Daniela Digles, Jana Gurinova, Jennifer Hemmerich
المصدر: Current medicinal chemistry. 27(38)
سنة النشر: 2018
مصطلحات موضوعية: 0301 basic medicine, Databases, Factual, Computer science, Pharmacoinformatics, computer.software_genre, 01 natural sciences, Biochemistry, Workflow, 03 medical and health sciences, Drug Discovery, Node (computer science), Pharmacology, Information retrieval, Data curation, Third party, Organic Chemistry, Chemical standardization, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, 030104 developmental biology, Molecular Medicine, User interface, Web service, computer, Software
الوصف: Background: The KNIME platform offers several tools for the analysis of chem- and pharmacoinformatics data. Unless one has sufficient in-house data available for the analysis of interest, it is necessary to fetch third party data into KNIME. Many data sources offer valuable data, but including this data in a workflow is not always straightforward. Objective: Here we discuss different ways of accessing public data sources. We give an overview of KNIME nodes for different sources, with references to available example workflows. For data sources with no individual KNIME node available, we present a general approach of accessing a web interface via KNIME. : In addition, we discuss necessary steps before the data can be analysed, such as data curation, chemical standardisation and the merging of datasets.
تدمد: 1875-533X
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ec52facec2e836f5444d51b2038c818b
https://pubmed.ncbi.nlm.nih.gov/31368867
رقم الأكسشن: edsair.doi.dedup.....ec52facec2e836f5444d51b2038c818b
قاعدة البيانات: OpenAIRE