Target-aware Molecule Generation for Drug Design Using a Chemical Language Model
Y. Xia, K. Wu, P. Deng, R. Liu, Y. Zhang, H. Guo, Y. Cui, Q. Pei, L. Wu, S. Xie, S. Chen, X. Lu, S. Hu, J. Wu, C.-K. Chan, , T.-Y. Liu
This paper introduces TamGen, a chemical language model for target-aware molecule generation, and shows it produces high-quality compounds with inhibitory activity against Tuberculosis ClpP protease.
bioRxiv · Jan 8, 2024 · PreprintBiochemistry