Optimisation of compound pharmacokinetics (PK) is an integral part of drug discovery and
development. Animal in vivo PK data as well as human and animal in vitro systems are …

Multiclass metabolomic studies have become popular for revealing the differences in
multiple stages of complex diseases, various lifestyles, or the effects of specific treatments. In …

Accurate prediction of human pharmacokinetics (PK) remains one of the key objectives of
drug metabolism and PK (DMPK) scientists in drug discovery projects. This is typically …

Drug discovery and development are aimed at identifying new chemical molecular entities
(NCEs) with desirable pharmacokinetic profiles for high therapeutic efficacy. The plasma …

Predicting human clearance with high accuracy from in silico-derived parameters alone is
highly desirable, as it is fast, saves in vitro resources, and is animal-sparing. We derived …

Pharmacokinetic (PK) parameters such as clearance (CL) and volume of distribution (Vd)
have been the subject of previous in silico predictive models. However, having information …

Predicting absorption, distribution, metabolism, excretion, and toxicity (ADMET) properties of
small molecules is a key task in drug discovery. A major challenge in building better ADMET …

Artificial Intelligence (AI) is poised or has already begun to influence absorption, distribution,
metabolism and excretion (ADME) science. It is not in the area expected–that of superior …

The increasing attention towards age-related diseases has generated significant interest in
the concept of cognitive dysfunction associated with Alzheimer's disease (AD). Certain …

Background The demand for physiologically based pharmacokinetic (PBPK) model is
increasing currently. New drug application (NDA) of many compounds is submitted with …