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Table 4 Prediction results of ten drug compounds

From: Computational determination of hERG-related cardiotoxicity of drug candidates

Name

In vivo result

 

Prediction

 

Our model

Pred-hERG binary

Pred-hERG multiclass

OCHEM Predictora

Haloperidol

Toxic

Toxic

Toxic

Nontoxic

Nontoxic

Cimetidine

Nontoxic

Nontoxic

Toxic

Nontoxic

Nontoxic

Disopyramide

Toxic

Toxic

Nontoxic

Nontoxic

Nontoxic

Quinnidine

Toxic

Nontoxic

Toxic

Nontoxic

Toxic

Terazosin

Nontoxic

Nontoxic

Toxic

Nontoxic

Nontoxic

Spironolactone

Nontoxic

Nontoxic

Toxic

Nontoxic

Nontoxic

Sotalol

Toxic

Nontoxic

Nontoxic

Nontoxic

Nontoxic

Cefazoline

Nontoxic

Nontoxic

Toxic

Nontoxic

Nontoxic

Chloropromazine

Toxic

Toxic

Toxic

Toxic

Nontoxic

Loratadine

Nontoxic

Nontoxic

Toxic

Nontoxic

Nontoxic

  1. aConsensus II in the predictor was used