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Ensemble Predictions for TDC BBB-Martins Leaderboard

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Figshare2023-03-29 更新2026-04-28 收录
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Ensemble predictions for a drugs ability to penetrate the blood brain barrier using Therapeutic Data Commons BBB-Martins dataset. 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.

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2023-03-29
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