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dc.contributor.authorDu Toit, Jean I.
dc.contributor.authorDu Toit, Marié J.
dc.contributor.authorVan Sittert, Cornelia G.C.E.
dc.contributor.authorVosloo, Hermanus C.M.
dc.identifier.citationDu Toit, J.I. et al. 2020. Geographical information system software as in-house chemical indexing database for catalyst screening of alkene metathesis catalysts. Catalysis today, 342:187-196. []en_US
dc.description.abstractLarge amounts of chemical information can be indexed on various databases. If these databases store information in an appropriate format for specific search queries, we can perform a catalyst screening from intelligent searches. However, little to no database applications are flexible enough to allow for simultaneous screening and comparable visualizations. Therefore, for setting up a flexible in-house database, we propose the use of geographical information system (GIS) software. GIS includes an attribute table that can be populated with text and numerical information. From this table, we could selectively screen our data as well as visualize the different values on an intelligently created grid pattern. Consequently, 11 types of alkene metathesis catalysts together with 9 Grubbs-type catalysts were investigated using GIS techniques. GIS proved to be an efficient and versatile tool whereby quick and successful catalyst screening could be doneen_US
dc.subjectGeographical information systemen_US
dc.subjectChemical indexing databaseen_US
dc.subjectCatalyst screeningen_US
dc.subjectAttribute tablesen_US
dc.titleGeographical information system software as in-house chemical indexing database for catalyst screening of alkene metathesis catalystsen_US
dc.contributor.researchID12317624 - Du Toit, Jean Isabelle
dc.contributor.researchID10063552 - Vosloo, Hermanus Cornelius Moolman
dc.contributor.researchID10073817 - Van Sittert, Cornelia Gertina Catharina E.
dc.contributor.researchID13062638 - Du Toit, Marié Joey

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