DPI_CDF:使用级联深层森林的可用药物蛋白质标识符
Muhammad Arif1, Ge Fang2,3, Ali Ghulam4
1College of Science and Engineering, Hamad Bin Khalifa University, Doha, Qatar.
BMC bioinformatics
|April 5, 2024
概括
本研究介绍了DPI_CDF,这是一种深度学习模型,用于仅使用蛋白质序列来识别可用药物的蛋白质 (DP). 与现有的计算方法相比,DPI_CDF显著提高了药物发现的准确性.
科学领域:
- 计算生物学是一种计算生物学.
- 药物发现 药物发现
- 生物信息学是一种生物信息学.
背景情况:
- 确定药物标对于药物发现至关重要.
- 湿实验室方法用于目标表征是昂贵和耗时的.
- 现有的用于预测可用药蛋白 (DPs) 的计算方法缺乏令人满意的性能.
研究的目的:
- 开发一种新的深度学习模型,仅从蛋白质序列来预测DP.
- 提高识别潜在毒品目标的准确性和效率.
- 为加速药物发现过程提供一个有价值的工具.
主要方法:
- 开发了DPI_CDF,一种利用蛋白序列信息的深度学习模型.
- 作为特征的蛋白质序列的综合进化,生化和组成特性.
- 采用一个层次化的深森林模型来融合这些多样化的特征编码方案.
主要成果:
- DPI_CDF在培训数据集上实现了99.13%的准确性和0.982 MCC.
- 该模型在独立测试数据集上显示出强大的概括性,准确率为95.01%,MCC为0.900.
- DPI_CDF超越了最先进的方法,在培训和测试数据集上,精度提高了4%以上.
结论:
- DPI_CDF提供了一种高度准确和高效的计算方法来识别可用药的蛋白质.
- 该模型的性能有可能显著加快药物发现管道的速度.
- 开发的模型和相关代码是公开可用的,以支持研究界.
相关概念视频
Protein-protein Interfaces
12.5K
Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
12.5K
Protein Networks
3.9K
An organism can have thousands of different proteins, and these proteins must cooperate to ensure the health of an organism. Proteins bind to other proteins and form complexes to carry out their functions. Many proteins interact with multiple other proteins creating a complex network of protein interactions.
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
These interactions can be represented through maps depicting protein-protein interaction networks, represented as nodes and edges. Nodes are circles that are representative of a protein,...
3.9K


