Deep Neural Network predictions for TDC BBB-Martins Leaderboard

Deep Neural Network predictions for a drugs ability to penetrate the blood brain barrier using Therapeutic Data Commons BBB-Martins dataset. <br> Includes .tsv files with the actual and predicted classifications of BBB permeability for each drug in the TDC test set using a Deep Neural Network model. Note that a vlassification label of 0 means not-permeable and a label of 1 means the drug is BBB permeable.

本数据集依托治疗数据共同体（Therapeutic Data Commons）的BBB-Martins数据集，生成了用于预测药物穿透血脑屏障（Blood Brain Barrier，BBB）能力的深度神经网络（Deep Neural Network）预测结果。数据集包含TSV格式文件，收录了TDC测试集中每一种药物的血脑屏障通透性实际分类标签与基于深度神经网络模型得到的预测分类标签。需注意，分类标签为0代表药物不具备血脑屏障通透性，标签为1则代表该药物可穿透血脑屏障。