Figure 7
From: When drug discovery meets web search: Learning to Rank for ligand-based virtual screening
Research workflow for LOR. The datasets used in this study were curated from Binding Database and CSAR by well-designed filtering rules. The compounds and targets are represented in a specific feature vector respectively. With certain feature mapping function, the compound-target pair as a whole is transferred to a new feature vector. Based on four different testing strategies, the testing results on different VS algorithms are presented and evaluated quantitatively with NDCG@10. The color bars in the test frame indicate the corresponding algorithms investigated in the specific test strategies.