Deep learning for molecular design - a review of the state of the art - Elton, Daniel C; Boukouvalas, Zois; Fuge, Mark D; Chung, Peter W (arXiv.org, 2019)
Keywords: Chemical synthesis; Computer Science - Learning; Deep learning; Graph grammars; Graphical representations; Neural networks; Optimization; Physics - Chemical Physics; State-of-the-art reviews; Statistics - Machine Learning; Training