Kernel-based data fusion improves the drug–protein interaction prediction[J] . Yong-Cui Wang,Chun-Hua Zhang,Nai-Yang Deng,Yong Wang.Computational Biology and Chemistry . 2011 (6)Wang,Y.C. et al. (2011) Kernel-based data fusion improves the drug-protein interaction prediction. Comput. Biol....
& Zhou, S. Improving compound–protein interaction prediction by building up highly credible negative samples. Bioinformatics 31, i221–i229 (2015). Article Google Scholar Gilson, M. K. et al. BindingDB in 2015: a public database for medicinal chemistry, computational chemistry and systems ...
Identifying unexpected drug-protein interactions is crucial for drug repurposing. We develop a comprehensive proteome scale approach that predicts human protein targets and side effects of drugs. For drug-protein interaction prediction, FINDSITEcomb, whose average precision is ~30% and recall ~27%, is...
GitHub - masashitsubaki/CPI_prediction: This is a code for compound-protein interaction (CPI) prediction based on a graph neural network (GNN) for compounds and a convolutional neural network (CNN) for proteins. DUD-E数据集: DUD-E: A Database of Useful (Docking) Decoys — Enhanced 1.解决...
Adapting protein language models and contrastive learning for highly-accurate drug-target interaction prediction. conplex.csail.mit.edu Resources Readme License MIT license Code of conduct Code of conduct Security policy Security policy Activity Stars 127 stars Watchers 3 watching Forks 34 ...
There are multiple studies [33], [34] that have shown that taking the last token output of the LSTM for prediction decreases the performance of the model on longer sequences, as any RNN can preserve contextual information only up to a certain extent. Motivated by this, we experiment with ...
DTI | Drug-target interaction基础认识 第一次接触蛋白质结构预测,记录一下笔记。 1 基础概念学习 好的学习视频推荐: https://www.youtube.com/watch?v=u49k72rUdyc 1.1 Drug Targets 药物靶点 Drug targets是蛋白质 蛋白质是大型生物分子,由很多的氨基酸amino acids组成...
DTI, Drug Property, PPI, DDI, Protein Function Prediction Applications in Drug Repurposing, Virtual Screening, QSAR, Side Effect Prediction and More This repository hosts DeepPurpose, a Deep Learning Based Molecular Modeling and Prediction Toolkit on Drug-Target Interaction Prediction, Compound Property ...
IMAEN An interpretable molecular augmentation model for drug–target interaction prediction.pdf 2.2M· 百度网盘 摘要 药物发现是生物医学研究的一个重要方面,而预测药物-靶标相互作用 (DTI) 是该过程中的重要一步。图神经网络 (GNN) 在图学习任务(包括 DTI 预测)上取得了显着的性能。然而,现有的使用 GNN 的...
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