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Enhancing molecular discovery using descriptor‐free rearrangement clustering techniques for sparse data sets |
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| Authors: | Peter A. DiMaggio Jr. Scott R. McAllister Christodoulos A. Floudas Xiao‐Jiang Feng Genyuan Li Joshua D. Rabinowitz Herschel A. Rabitz |
| Affiliation: | 1. Dept. of Chemical Engineering, Princeton University, Princeton, NJ 08544;2. Department of Chemistry, Princeton University, Princeton, NJ 08544 |
| Abstract: | |
| Keywords: | optimization mathematical modeling |