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Zhao 等 - 2025 - ColdstartCPI Induced-fit Theory-guided DTI Predictive Model With Improved Generalization Performanc by zhouder1101 is a document available to read on EtoBox.
The article presents ColdstartCPI, a predictive model for compound-protein interactions (CPIs) that utilizes induced-fit theory and a Transformer module to enhance generalization performance, particularly for unseen compounds and proteins. ColdstartCPI outperforms traditional sequence-based and structure-based models, demonstrating effectiveness in sparse data conditions and cold-start scenarios. The framework integrates pre-trained features and treats compounds and proteins as flexible molecules, providing
- Author
- zhouder1101
- Language
- EN