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Diffstat (limited to 'dataset-variability.R')
| -rw-r--r-- | dataset-variability.R | 24 |
1 files changed, 24 insertions, 0 deletions
diff --git a/dataset-variability.R b/dataset-variability.R new file mode 100644 index 0000000..b0e3c76 --- /dev/null +++ b/dataset-variability.R @@ -0,0 +1,24 @@ +library(ggplot2) +library(grid) +library(gridExtra) + +m = read.csv("data/mazzatorta.csv",header=T) +s = read.csv("data/swiss.csv",header=T) + +m.dupsmi = unique(m$SMILES[duplicated(m$SMILES)]) +s.dupsmi = unique(s$SMILES[duplicated(s$SMILES)]) +m.dup = m[m$SMILES %in% m.dupsmi,] +s.dup = s[s$SMILES %in% s.dupsmi,] + +m.dup$LOAEL= -log10(m.dup$LOAEL) +s.dup$LOAEL= -log10(s.dup$LOAEL) +m.dup$SMILES <- reorder(m.dup$SMILES,m.dup$LOAEL) +s.dup$SMILES <- reorder(s.dup$SMILES,s.dup$LOAEL) + +p1 <- ggplot(m.dup, aes(SMILES,LOAEL),ymin = min(LOAEL), ymax=max(LOAEL)) + ylab('-log(LOAEL mg/kg_bw/day)') + xlab('Compound') + theme(axis.text.x = element_blank()) + geom_point() + ggtitle("Mazzatorta") + ylim(-1,4) +p2 <- ggplot(s.dup, aes(SMILES,LOAEL),ymin = min(LOAEL), ymax=max(LOAEL)) + ylab('-log(LOAEL mg/kg_bw/day)') + xlab('Compound') + theme(axis.text.x = element_blank()) + geom_point() + ggtitle("Swiss Federal Office") + ylim(-1,4) + +pdf('figure/dataset-variability.pdf') +grid.arrange(p1,p2,ncol=1) +dev.off() + |