Predict

Models

Blood-Brain Barrier
ModelA_BBB_I
Desc.The entire dataset were collected from Shen's work, which included 1839 compounds (1438 BBB+ and 401 BBB- compounds).
Q0.9429SE0.9861
SP0.788AUC0.9517
Reference
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Predict ADMET Properties

Prediction of Absorption, Distribution, Metabolism, Excretion and Toxicity Profiles for drug candidates and environmental chemicals plays an important role in drug discovery and environmental hazard assessment. Herein, we developed a chemoinformatics-based web server by integrating 50 high quality QSAR models for chemical ADMET profiling.

Regression Models

Classification Models