EPX: An R package for the ensemble of subsets of variables for highly unbalanced binary classification
Tài liệu tham khảo
Tomal, 2016, Exploiting multiple descriptor sets in qsar studies, J. Chem. Inf. Model., 56, 501, 10.1021/acs.jcim.5b00663
Tomal, 2019
Tomal, 2015, Ensembling classification models based on phalanxes of variables with applications in drug discovery, Ann. Appl. Stat., 9, 69, 10.1214/14-AOAS778
Breiman, 2001, Random forests, Mach. Learn., 45, 5, 10.1023/A:1010933404324
2020
Breiman, 1984
Friedman, 2001, Greedy function approximation: a gradient boosting machine, Ann. Stat., 29, 1189, 10.1214/aos/1013203451
Wang, 2005
Burden, 1989, Molecular identification number for substructure searches, J. Chem. Inf. Comput. Sci., 29, 225, 10.1021/ci00063a011
Daguer, 2015, Dna display of fragment pairs as a tool for the discovery of novel biologically active small molecules, Chem. Sci., 6, 739, 10.1039/C4SC01654H
Weston, 2020
Wallig, 2020
Liaw, 2018
Venables, 2002
Ripley, 2019
Greenwell, 2020
Tomal, 2021
Robin, 2021
Carhart, 1985, Atom pairs as molecular features in structure-activity studies: definition and applications, J. Chem. Inf. Comput. Sci., 25, 64, 10.1021/ci00046a002