De Novo Design of Target-Specific Ligands Using BERT-Pretrained Transformer

Author:

Zheng Yangkun,Lu Fengqing,Zou Jiajun,Hua Haoyu,Lu Xiaoli,Min Xiaoping

Publisher

Springer Nature Singapore

Reference38 articles.

1. Aumentado-Armstrong, T.: Latent molecular optimization for targeted therapeutic design. arXiv preprint arXiv:1809.02032 (2018)

2. Born, J., et al.: Data-driven molecular design for discovery and synthesis of novel ligands: a case study on SARS-COV-2. Mach. Learn. Sci. Technol. 2(2), 025024 (2021)

3. Dai, H., Tian, Y., Dai, B., Skiena, S., Song, L.: Syntax-directed variational autoencoder for structured data. arXiv preprint arXiv:1802.08786 (2018)

4. De Cao, N., Kipf, T.: Molgan: an implicit generative model for small molecular graphs. arXiv preprint arXiv:1805.11973 (2018)

5. Devlin, J., Chang, M.W., Lee, K., Toutanova, K.: Bert: pre-training of deep bidirectional transformers for language understanding. arXiv preprint arXiv:1810.04805 (2018)

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