Chemical space exploration guided by deep neural networks

Dmitry S. Karlov, Sergey Sosnin, Igor V. Tetko, Maxim V. Fedorov
2019 RSC Advances  
A parametric t-SNE approach based on deep feed-forward neural networks was applied to the chemical space visualization problem.
doi:10.1039/c8ra10182e fatcat:hvizlp33lvcwbf7hwh5wl224oa