Fig. 4
From: Multiobjective de novo drug design with recurrent neural networks and nondominated sorting
PCA projection of the molecular descriptors of molecules in the training data and molecules generated by the LSTM. Five molecular descriptors were evaluated for each of the molecules generated by the LSTM and 50,000 randomly selected molecules from the training data. Principal component analysis (PCA) was used for dimensionality reduction to plot the data, with generated molecules in red and training data molecules in blue. The distributions are closely aligned