Fig. 2
From: ReMODE: a deep learning-based web server for target-specific drug design
Statistics of the generated molecules for 23 different target-specific tasks. A The FCD values of the generated molecules for the 23 protein targets (‘Bayesian optimization’ module), and the order and information of the targets in the horizontal and vertical coordinates are the same as those in the horizontal coordinates of B, C. B The average SNN of PLIF between the generated molecules and the PKIs set (‘Bayesian optimization’ module). C The docking score distribution of the generated molecules and the PKIs set (‘Bayesian optimization’ module). The detailed evaluations of the other modules are available in Additional file 1