ADMET properties, binding affinity, and pharmacophore score of top compounds (mol_MW: Molecular Weight, donorHB: Hydrogen Bond Donor, accptHB: Hydrogen Bond Acceptor, QPlogPo/w: Predicted octanol/water partition coefficient, QPlogHERG: Predicted IC50 value for blockage of HERG K+ channels, QPPCaco: Predicted apparent Caco-2 cell permeability in nm/sec, QPlogBB Predicted brain/blood partition coefficient, QPlogKhsa: Prediction of binding to human serum albumin, and binding affinity from docking in kcal/mol).
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下载链接：
https://figshare.com/articles/dataset/ADMET_properties_binding_affinity_and_pharmacophore_score_of_top_compounds_mol_MW_Molecular_Weight_donorHB_Hydrogen_Bond_Donor_accptHB_Hydrogen_Bond_Acceptor_QPlogPo_w_Predicted_octanol_water_partition_coefficient_QPlogHERG_Predicted_IC50_v/22936361
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资源简介：
ADMET properties, binding affinity, and pharmacophore score of top compounds (mol_MW: Molecular Weight, donorHB: Hydrogen Bond Donor, accptHB: Hydrogen Bond Acceptor, QPlogPo/w: Predicted octanol/water partition coefficient, QPlogHERG: Predicted IC50 value for blockage of HERG K+ channels, QPPCaco: Predicted apparent Caco-2 cell permeability in nm/sec, QPlogBB Predicted brain/blood partition coefficient, QPlogKhsa: Prediction of binding to human serum albumin, and binding affinity from docking in kcal/mol).
创建时间：
2023-05-18
