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Article

TransGEM: a molecule generation model based on Transformer with gene expression data.

Bioinformatics (Oxford, England) - 2 May 2024

Liu Yanguang, Yu Hailong, Duan Xinya, Zhang Xiaomin, Cheng Ting, Jiang Feng, Tang Hao, Ruan Yao, Zhang Miao, Zhang Hongyu, Zhang Qingye

Abstract excerpt

MOTIVATION: It is difficult to generate new molecules with desirable bioactivity through ligand-based de novo drug design, and receptor-based de novo drug design is constrained by disease target information availability. The combination of artificial intelligence and phenotype-based de novo drug design can generate new bioactive molecules, independent from disease target information. Gene expression profiles can...

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Identifiers

PMID: 38632084
DOI: 10.1093/bioinformatics/btae189
PMCID: PMC11078772

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PubMed metadata and Literature Corpus relationships. Corpus snapshot updated 7 Sept 2026. Manifest publication-graph-cohort-2026-09-07.1.

Source receipt: pubmed, retrieved 7 Sept 2026.

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