KIBA 和 Davis 数据集下载 以及部分学习笔记

KIBA 和 Davis 数据集找了很久，然后通过Issues · hkmztrk/DeepDTA · GitHub的问题得到了答案。但我仍然不清楚affinity文件是如何生成的（头秃）。

Where can I download Kinese KIBA and Davis datasets? 

Data Explanation: DeepDTA/README.md at master · hkmztrk/DeepDTA (github.com)

For more detailed information, please refer to the DeepDTA article and SimBoost article. 

Availability of data: http://staff.cs.utu.fi/~aatapa/data/DrugTarget/

ligands.txt -> it contains the sequences of drugs (SMILES)
proteins.txt -> it contains the sequences of proteins in the data
affinity.txt -> contains the binding affinity matrix in txt form (drugs x proteins in the same order given in the above text files
Y -> contains the binding affinity matrix in pickle form (drugs x proteins in the same order given in the above text files)

About DeepDTA: deep drug-target binding affinity prediction

The approach used in this work is the modeling of protein sequences and compound 1D representations (SMILES) with convolutional neural networks (CNNs) to predict the binding affinity value of drug-target pairs.