The Novel In Vitro Method to Calculate Tissue-to-Plasma Partition Coefficient in Humans for Predicting Pharmacokinetic Profiles by Physiologically-Based Pharmacokinetic Model With High Predictability

Predicting Volume of Distribution in Humans: Performance of In Silico Methods for a Large Set of Structurally Diverse Clinical Compounds

“…Key mechanisms that play a crucial role in partitions itself between plasma and the specific organ tissue implemented by each prediction method is summarized in Table 1. Prediction of V D,ss accurately remains a challenge that has not been adequately solved (Smith et al, 2015). Few studies have evaluated the performance of various V D,ss prediction methods; however, these reports were either in preclinical species (Graham et al, 2012) or used a small set (<150) of clinical compounds (Jones et al, 2011;Korzekwa and Nagar, 2017;Chan et al, 2018;Nigade et al, 2019;Mayumi et al, 2020). Recently, Lombardo et al published a manually curated dataset of V D,ss for 1352 drugs following IV dosing (Lombardo et al, 2018), which presented an opportunity to evaluate the predictive performance of various V D,ss methodologies This article has not been copyedited and formatted.…”