Deep Learning to Predict the Formation of Quinone Species in Drug Metabolism
Hughes, T. B. and Swamidass, S. J. (2017). Chemical Research in Toxicology, DOI: 10.1021/acs.chemrestox.6b00385Abstract: Many adverse drug reactions are thought to be caused by electrophilically reactive drug metabolites that conjugate to nucleophilic sites within DNA and proteins,causing cancer … Continue Reading ››
This is a minor update to figure 10 in a recently published paper: Original Paper.
The revised figure displays both the RMSE between each method and perfectly scaled prediction, and the R2 values for the Pearson correlation of the best-file line for that method. As measured by RMSE, the three methods have the same relative value as in … Continue Reading ››