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Ligand-Based Virtual Screening Based on the Graph Edit Distance |
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| Authors: | Elena Rica,Susana Á lvarez,Francesc Serratosa |
| Affiliation: | Departament d’Enginyeria Informàtica i Matemàtiques, Universitat Rovira i Virgili, 43007 Tarragona, Spain; (S.Á.); (F.S.) |
| Abstract: | |
| Keywords: | virtual screening molecular similarity extended reduced graph structure activity relationships machine learning graph edit distance |