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

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

Volume of distribution at steady state (VD,ss) is one of the key pharmacokinetic parameters estimated during the drug discovery process. Despite considerable efforts to predict VD,ss, accuracy and choice of prediction methods remain a challenge, with evaluations constrained to a small set (

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Bibliographische Detailangaben
Veröffentlicht in:Drug metabolism and disposition 2021-02, Vol.49 (2), p.169-178
Hauptverfasser: Murad, Neha, Pasikanti, Kishore K., Madej, Benjamin D., Minnich, Amanda, McComas, Juliet M., Crouch, Sabrinia, Polli, Joseph W., Weber, Andrew D.
Format: Artikel
Sprache:eng
Schlagworte:
Computer Simulation
Drug Discovery
Humans
Molecular Structure
Pharmaceutical Preparations - blood
Pharmaceutical Preparations - chemistry
Pharmacokinetics
Tissue Distribution
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Beschreibung
Zusammenfassung:Volume of distribution at steady state (VD,ss) is one of the key pharmacokinetic parameters estimated during the drug discovery process. Despite considerable efforts to predict VD,ss, accuracy and choice of prediction methods remain a challenge, with evaluations constrained to a small set (
ISSN:0090-9556
1521-009X
DOI:10.1124/dmd.120.000202