Phenotype-Guided In Silico Molecular Generation Using Large Language Models
Qun Jiang, Xing Ye, Zekun Guo…·Sida Shao
GEMGen generates small molecules from transcriptomic data to phenocopy gene knockdown effects and identify novel inhibitors.
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Microsoft (United States)ORCID 0000-0001-9823-9033Unclaimed ORCID profile · follow to get notified of new preprints
3 papers
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Qun Jiang, Xing Ye, Zekun Guo…·Sida Shao
GEMGen generates small molecules from transcriptomic data to phenocopy gene knockdown effects and identify novel inhibitors.
Kehan Wu, Yingce Xia, Pan Deng…·Tie‐Yan 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.
Kaiyuan Gao, Lijun Wu, Jinhua Zhu…·Tie‐Yan Liu
This paper develops a pre-trained antibody language model to improve CDR sequence and structure generation, outperforming previous methods in antigen-specific antibody design.