The PCCs and RMSEs (pKd/pKi) for our DC-GBT models in three test cases, i.e., PDBbind-v2007, PDBbind-v2013 and PDBbind-v2016.
收藏Figshare2022-04-06 更新2026-04-28 收录
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https://figshare.com/articles/dataset/The_PCCs_and_RMSEs_i_pK_i_sub_i_d_i_sub_i_pK_i_sub_i_i_i_sub_for_our_DC-GBT_models_in_three_test_cases_i_e_PDBbind-v2007_PDBbind-v2013_and_PDBbind-v2016_/19526859
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资源简介：
Three DC-GBT models are considered with features from different types of bipartite graphs. The DC-GBT(Dist) model uses features from distance-based bipartite graphs; The DC-GBT(Chrg) model uses features from electrostatic-based bipartite graphs; The DC-GBT(Dist+Chrg) model uses features from both distance-based bipartite graphs and electrostatic-based bipartite graphs.
创建时间：
2022-04-06
