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Pharmacophore features for machine learning in pharmaceutical virtual screening |
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| Authors: | Wang Xiaojing Han Wenxiu Yan Xin Zhang Jun Yang Mengqi Jiang Pei |
| Affiliation: | 1.Jining First People’s Hospital, Jining Medical University, Jining, China ;2.Research Center for Drug Discovery, School of Pharmaceutical Sciences, Sun Yat-sen University, Guangzhou, China ;3.Department of Pharmacy, The First Affiliated Hospital of Zhengzhou University, Zhengzhou, China ; |
| Abstract: | Molecular Diversity - Methods of three-dimensional molecular alignment generally treat all pharmacophore features equally when superimposing. However, some pharmacophore features can be more... |
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