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Chemographic Exploration of Potentail Biological Activity-an Example for Five Marine Compounds

Yung-Hsuan Chen  Ping-Jyun Sung  
【摘要】:During the last years three different masters-projects have been pursued(partly in collaboration with the Dept.of Information Technology at Uppsala University,and the Chemical Computing Group at AstraZeneca RD in Molndal) developing methods for quantifying and calculating distances,directionality and similarity scoring in 8D chemical property space.The NMMBA and Uppsala University had cooperation.We have been worked together and used a model of combinatorial chemistry of physico-chemical property space,name ChemGPS-NP.In the same way as with a geographical map of Earth,the ChemGPS-NP-3D map has different regions exhibiting different properties.The chemographical map has different regions exhibiting different properties.Analogous to this,will compound with positions close to each other be more 'similar'(in a physico-chemical sense) than compounds with positions further apart.It can study the active ingredients of specific trace four marine components from sponges.Derivatives of the active compounds will be also prepared to investigate the relationship between their structures and biological activities.

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