The number of successful drug development projects has been stagnant for decades
despite major breakthroughs in chemistry, molecular biology, and genetics. Unreliable target …

Accurate prediction of human clearance (CL) and volume of distribution at steady state (Vd,
ss) for small molecule drug candidates is an essential component of assessing likely …

Microphysiological systems (MPS) are complex and more physiologically realistic cellular in
vitro tools that aim to provide more relevant human in vitro data for quantitative prediction of …

Minimizing in vitro and in vivo testing in early drug discovery with the use of physiologically
based pharmacokinetic (PBPK) modeling and machine learning (ML) approaches has the …

Although computational predictions of pharmacokinetics (PK) are desirable at the drug
design stage, existing approaches are often limited by prediction accuracy and human …

The utilization of in vitro data to predict drug pharmacokinetics (PK) in vivo has been a
consistent practice in early drug discovery for decades. However, its success is hampered …

Characterizing the pharmacokinetic properties of drug candidates represents an essential
task during drug development. In the past, liver microsomes and primary suspended …

While high lipophilicity tends to improve potency, its effects on pharmacokinetics (PK) are
complex and often unfavorable. To predict clinical PK in early drug discovery, we built …

Improved pharmacokinetics/pharmacodynamics (PK/PD) prediction in the early stages of
drug development is essential to inform lead optimization strategies and reduce attrition …

During drug discovery and development, achieving appropriate pharmacokinetics is key to
establishment of the efficacy and safety of new drugs. Physiologically based …