https://libeldoc.bsuir.by/handle/123456789/54408| Title: | Application of semi-supervised GAN in combination with JT-VAE for generation of small molecules with high binding affinity to the KasA enzyme of Mycobacterium tuberculosis |
| Authors: | Gonchar, A. V. Tuzikov, A. V. Fur, K. V. Andrianov, A. M. |
| Keywords: | материалы конференций;mycobacterium tuberculosis (Mtb);generative adversarial neural network (GAN);virtual screening |
| Issue Date: | 2023 |
| Publisher: | BSU |
| Citation: | Application of semi-supervised GAN in combination with JT-VAE for generation of small molecules with high binding affinity to the KasA enzyme of Mycobacterium tuberculosis / A. V. Gonchar [et al.] // Pattern Recognition and Information Processing (PRIP'2023) = Распознавание образов и обработка информации (2023) : Proceedings of the 16th International Conference, October 17–19, 2023, Minsk, Belarus / United Institute of Informatics Problems of the National Academy of Sciences of Belarus. – Minsk, 2023. – P. 114–117. |
| Abstract: | Semi-supervised generative adversarial neural network trained on molecular graph embeddings produced by Junction Tree Variational Autoencoder was implemented and applied for de novo design of new potential inhibitors of Mycobacterium tuberculosis protein KasA. |
| URI: | https://libeldoc.bsuir.by/handle/123456789/54408 |
| Appears in Collections: | Pattern Recognition and Information Processing (PRIP'2023) = Распознавание образов и обработка информации (2023) |
| File | Description | Size | Format | |
|---|---|---|---|---|
| Gonchar_Application.pdf | 357.55 kB | Adobe PDF | View/Open |
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