AIMC Topic: Ether-A-Go-Go Potassium Channels
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BayeshERG: a robust, reliable and interpretable deep learning model for predicting hERG channel blockers.
Briefings in bioinformatics
Jul 18, 2022
Unintended inhibition of the human ether-à-go-go-related gene (hERG) ion channel by small molecules leads to severe cardiotoxicity. Thus, hERG channel blockage is a significant concern in the development of new drugs. Several computational models hav...
Machine Learning-Based Modeling of Drug Toxicity.
Methods in molecular biology (Clifton, N.J.)
Jan 1, 2018
Toxicity is an important reason for the failure of drug research and development (R&D). The traditional experimental testings for chemical toxicity profile are costly and time-consuming. Therefore, it is attractive to develop the effective and accura...
Artificial Neural Network Analysis of Pharmacokinetic and Toxicity Properties of Lead Molecules for Dengue Fever, Tuberculosis and Malaria.
Current computer-aided drug design
Jan 1, 2016
Poor pharmacokinetic and toxicity profiles are major reasons for the low rate of advancing lead drug candidates into efficacy studies. The In-silico prediction of primary pharmacokinetic and toxicity properties in the drug discovery and development p...
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