Skip to main content
Figure 4 | BMC Bioinformatics

Figure 4

From: A novel chemogenomics analysis of G protein-coupled receptors (GPCRs) and their ligands: a potential strategy for receptor de-orphanization

Figure 4

Examples of plotted scores for the leave-one-out validation. Example plots expressing the performance of the simulated receptor de-orphanization. Performance plots for the following receptors are provided (from left to right and from top to bottom): CHRM1 - muscarinic acetylcholine receptor M1 (first category); AGTR1 - angiotensin receptor AT1 (second category); P2RY1 - P2Y1 purinoceptor (third category); BRS3 - bombesin receptor BB3 (fourth category). These examples are discussed in the text. The full set of plotted scores is provided in Additional file 2 - Plotted scores for the leave-one-out validation. For each plot, receptors are ordered along the x-axis (labeled "Number of included receptors") in order of increasing distance in sequence space to the receptor under study. On the y-axis (labeled "Ligands identified"), the cumulative number of retrieved ligands is depicted, normalized linearly to the interval [0;1]. The red curve indicates the number of active ligands that are retrieved when including all (closest) receptors that are listed along the x-axis up to that point. For example, the plot of the muscarinic acetylcholine receptor M1 (CHRM1) displays a steeply rising curve near the origin, indicating that many of its ligands are retrieved using a small number of closest receptors. The blue diagonal illustrates recovery of ligands when performance is equal to random prediction. The relative area under the curve (AUC) of the red curve is stated at the bottom of each plot. An AUC above 0.5 indicates good performance, while poor performance is indicated by an AUC of 0.5 or below.

Back to article page