Flexible drug-target interaction prediction with interactive information extraction and trade-off.pdf 1.5M · 百度网盘 摘要 药物-靶点相互作用(DTI)预测是指利用计算方法和模型来预测药物与生物靶点之间的相互作用。 DTI可以帮助研究人员了解药物的作用机制、发现新的药物靶点、筛选候选药物。近年来,大量融合深层药物...
在三个公共数据集上进行的综合实验表明了GSL-DTI在DTI预测任务中的优越性。此外,GSL-DTI 为推进 DTI 预测的图结构学习研究提供了新的视角。 1 引言 药物开发是一个高度复杂的过程,需要投入大量的时间和资源。几十年前,药物发现和开发仅限于在实验室工作的药物化学家,他们必须进行大量的测试、验证和合成过程才能将...
Ferro, "Drug-target interaction prediction through domain-tuned network based inference," Bioinformatics, vol. 29, pp. 2004-2008, 2013.Alaimo S, Pulvirenti A, Giugno R, Ferro A. Drug-target interaction prediction through domain-tuned network-based inference. Bioinformatics. 2013; 29(16)...
test set in 10-fold cross-validation for further exploration and selected one pair of drug-target interaction (D00964–interact–hsa:1553) labeled as a positive in the test set but was predicted as a negative with the prediction probability of 0.14. To figure out the impact of KG on DTI ...
Drug-target interaction pre- diction by integrating chemical, genomic, functional and pharmacological data. In Pacific Symposium on Biocomputing. Pacific Symposium on Biocomputing, page 148. NIH Public Access, 2014.F. Yangt, J. Xu, and J. Zeng, "Drug-target interaction prediction by integrating ...
The output of neural network would give us a probability estimate to predict the interaction between testing drug-target pair (i.e. positive or negative - see Fig. 1e). Datasets We adopted a well-known dataset for prediction and evaluation of our DTI prediction method. This dataset has been...
Chan School of Public Health, MA 02115b Analytic Center of Excellence, IQVIA, MA 02139c Department of Computer Science, University of Illinois at Urbana-Champaign, IL 61801AbstractMotivation: Drug target interaction (DTI) prediction is a foundational taskfor in silico drug discovery, which is ...
Drug-target interaction (DTI) prediction has become a crucial prerequisite in drug design and drug discovery. However, the traditional biological experiment is time-consuming and expensive, as there are abundant complex interactions present in the large size of genomic and chemical spaces. For alleviat...
Abstract: 在药物重定向中,识别药物与靶标的相互作用(DTI)是一个巨大的挑战。因此,通过体内药物与靶标相互作用的预测找到可靠的DTI是可以缩短实验验证的步骤并减少实验花费。此外,in silico DTI 的预测可以提供药物与药物的相互作用,药物副作用的相关信息。传统的方式往往依赖于药物和靶标的描述符。在我们的工作中,...
MINDG A Drug-Target Interaction Prediction Method Based on an Integrated Learning Algorithm.pdf 469.6K· 百度网盘 摘要 动机:药物靶点相互作用(DTI)预测是指预测给定的药物分子是否与特定靶点结合,从而发挥靶向治疗作用。尽管药物靶点预测的智能计算方法受到了广泛关注并取得了许多进展,但它们仍然是一项具有挑战性的...