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Fig. 7 | Journal of Cheminformatics

Fig. 7

From: Multiobjective de novo drug design with recurrent neural networks and nondominated sorting

Fig. 7

Distributions of molecular descriptors prior to transfer learning and after five iterations. All five descriptors measured were minimized as the LSTM model learns to generate more optimal molecules. The median and lower quartile values are equal in the distribution of hydrogen bond donors in the molecules generated prior to transfer learning; thus, there is no additional median mark. There is also no additional minimum mark in the distribution of hydrogen bond donors in the molecules generated after five iterations of transfer learning, as the lower quartile and minimum values are equal

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