Gene Expression-Informed Jointly Controlled Generative Modeling for Precision Molecular Design
Precision molecular design aims to discover personalized drug candidates through joint control of multiple conditions, such as biological relevance and molecular design strategies. Biological relevance reflects cellular functional states under disease or perturbation conditions, while molecular design strategies provide complementary guidance in terms of structural intentions and property optimization. In this study, we propose JoPMol, a jointly controlled precision molecular generative model that integrates biological states encoded by gene expression profiles with molecular structure information expressed in text, and chemical properties quantified by numerical values within a unified m...
| Authors | Hang Yuan, Chen Li, Wenjun Ma et al. |
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| Primary category | cs.LG |
| Published | 13 July 2026 |
| Last updated at source | 13 July 2026 |
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