ChemTS: an efficient python library for de novo molecular generation - Yang, Xiufeng; Zhang, Jinzhe; Yoshizoe, Kazuki; Terayama, Kei; Tsuda, Koji (Science and technology of advanced materials, 2017)
Keywords: 404 Materials informatics / Genomics; 60 New topics/Others; Algorithms; Artificial neural networks; Computer simulation; Design optimization; Fragments; Libraries; Molecular design; Monte Carlo tree search; Neural networks; New topics/Others; Organic materials; Python; python library; recurrent neural network; Recurrent neural networks; 60 New topics/Others; Molecular design; Monte Carlo tree search; recurrent neural network; python library; 404 Materials informatics / Genomics