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Analysis and refinement of the targeted QSPR method |
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| Authors: | Olaf Kahrs Neima Brauner Georgi St. Cholakov Roumiana P. Stateva Wolfgang Marquardt Mordechai Shacham |
| Affiliation: | aProcess Systems Engineering, RWTH Aachen University, Aachen 52064, Germany bSchool of Engineering, Tel-Aviv University, Tel-Aviv 69978, Israel cDepartment of Organic Synthesis and Fuels, University of Chemical Technology and Metallurgy, Sofia 1756, Bulgaria dInstitute of Chemical Engineering, Bulgarian Academy of Sciences, Sofia 1113, Bulgaria eDepartment of Chemical Engineering, Ben-Gurion University of the Negev, Beer-Sheva 84105, Israel |
| Abstract: | |
| Keywords: | Computational chemistry Property prediction QSPR PCA Cluster analysis Stepwise regression |
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