The human ether-a-go-go related gene (hERG) encodes the pore-forming subunit of the
rapid component of the delayed rectifier K+ channel, Kv11. 1, which are expressed in the …

The'quality'of small-molecule drug candidates, encompassing aspects including their
potency, selectivity and ADMET (absorption, distribution, metabolism, excretion and toxicity) …

Hunting for chemicals with favorable pharmacological, toxicological, and pharmacokinetic
properties remains a formidable challenge for drug discovery. Deep learning provides us …

Given that cardiovascular safety liabilities remain a major cause of drug attrition during
preclinical and clinical development, adverse drug reactions, and post‐approval withdrawal …

There are numerous small molecular compounds around us to affect our health, such as
drugs, pesticides, food additives, industrial chemicals, and environmental pollutants. Over …

Abstract 'Drug‐likeness', a qualitative property of chemicals assigned by experts committee
vote, is widely integrated into the early stages of lead and drug discovery. Its conceptual …

The ability to interpret the predictions made by quantitative structure–activity relationships
(QSARs) offers a number of advantages. While QSARs built using nonlinear modeling …

Current gaps in drug safety sciences can result from the inability (1) to identify hazard across
multiple target organs,(2) to predict and risk assess with certainty against drug safety …

Inhibition of the human ether-a-go-go related gene (hERG) potassium channel may result in
QT interval prolongation, which causes severe cardiac side effects and is a major problem in …

Owing to its association with Torsades de Pointes, drug‐induced QT interval prolongation
has been and remains a significant hurdle to the development of safe, effective medicines …