This work generated more than 38 million temporal protein-abundance measurements from systematically perturbed breast cancer cell lines, and developed ProteinTalks, a virtual cell model that achieves higher performance than the selected benchmark implementations under the evaluated protocols.
An artificial intelligence framework that integrates biological mechanism knowledge to predict how cells respond to chemical perturbation, improving generalization to untested drugs and prioritizing cancer drug candidates in virtual screening is introduced.
It is shown that with the right training recipe, heterogeneous proteomics data can improve the learned representations of single-cell RNAseq samples, demonstrating strong out-of-distribution generalization and suggesting that multimodal pretraining is a promising path toward more informative biological foundation model...
Maximilien Burq, Peter Cimermancic, Charlie Kim et al.· bioRxiv· 1 citation
This review systematically summarizes the latest research progress in druggable protein prediction algorithms, providing a comprehensive analysis across three dimensions: data resources, feature engineering, and predictive models.
Hong-Qi Zhang, Hong-Ling Wang, Shang-Hua Liu et al.· Current Drug Targets· 0 citations
Cells are characterized by molecular states, coordinated molecular interactions, regulatory programs, and responses to perturbations. Systematic mapping of these cellular functional profiles across biological contexts remains experimentally costly and fragmented. Here we present InsilicoCell, a pretrained multi-modal,...
Ruoqiao Chen, Li Huang, Yu Qiao et al.· bioRxiv· 0 citations
CDK1 was identified as a promising therapeutic target, and Tucatinib emerged as the most promising repurposing candidate, warranting further clinical validation.
J. Rafiee, Seyedeh Tahereh Arabi Baygi, S. H. Aghaee-Bakhtiari· Computational biology and ch...· 0 citations
Artificial intelligence-driven systems biology approaches could contribute to the development of dynamic, patient-specific computational representations of biological systems, potentially accelerating precision medicine and transforming drug discovery from empirical experimentation toward predictive, mechanism-guided t...
Kumar Selvarajoo· Frontiers in Immunology· 0 citations
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