Ensemble Predictions for TDC BBB-Martins Leaderboard

Ensemble 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 Ensemble model that takes validation set predictions from Logistic Regression and Deep Neural Network models as base learners. Note that a vlassification label of 0 means not-permeable and a label of 1 means the drug is BBB permeable.

本数据集基于治疗数据共同体（Therapeutic Data Commons）的BBB-Martins数据集，针对药物血脑屏障（blood-brain barrier）穿透能力开展集成预测研究。数据集包含TSV格式文件，收录了TDC测试集中每款药物的血脑屏障通透性真实分类与预测分类结果；所用集成模型以逻辑回归（Logistic Regression）和深度神经网络（Deep Neural Network）模型在验证集上的预测结果作为基学习器。需注意，分类标签为0代表该药物不具备血脑屏障穿透性，标签为1则代表该药物可穿透血脑屏障。