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#!/usr/bin/env Rscript
library(Rtsne)
library(ggplot2)
data <- read.csv("figures/tsne-padel.csv")
labels <- data$Mutagenicity
data$Mutagenicity <- NULL
m <- as.matrix(data)
tsne <- Rtsne(m,verbose=T,check_duplicates=F)
#write.csv(tsne,"tsne.csv")
write.csv(data.frame(x = tsne$Y[,1], y = tsne$Y[,2]),"padel-tsne.csv")
tsne_plot <- data.frame(x = tsne$Y[,1], y = tsne$Y[,2])
colors <- c("PA" = "#00BFC4", "mutagen" = "#F8766D", "non-mutagen" = "#7CAE00")
plot <- ggplot(tsne_plot)
plot + geom_point(aes(x=x, y=y, color = labels)) + xlab(element_blank()) + ylab(element_blank()) + theme(axis.ticks = element_blank(), axis.text = element_blank(), legend.title=element_blank()) + scale_color_manual(values = colors)
ggsave("figures/tsne-padel.png")
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