Integrated Computational Solution for Predicting Skin Sensitization Potential of Molecules
Fig 5
Comparative performance of our prediction workflows with VEGA v1.08.
Panel A: Molecules of challenge set-1 processed by our prediction workflows (= 74) and VEGA v1.08 (= 69) used for computation; Panel B: 69 molecules of challenge set-1 processed by our prediction workflows as well as VEGA v1.08 were used for computation; Panel C: Molecules of challenge set-2 processed by our prediction workflows (= 77) and VEGA v1.08 (= 68) used for computation; Panel D: 68 molecules of challenge set-2 processed by our prediction workflows as well as VEGA v1.08 were used for computation. VEGA v1.08: orange bars; PW-1: blue bars; PW-2: green bars. CCR: Correct Classification Rate.