Evaluation of Prediction Accuracy for Volume of Distribution in Rat and Human Using In Vitro, In Vivo, PBPK and QSAR Methods

Dose Predictions for Drug Design

(2020) Tristan S. Maurer et al.   JOURNAL OF MEDICINAL CHEMISTRY

In Silico Models of Human PK Parameters. Prediction of Volume of Distribution Using an Extensive Data Set and a Reduced Number of Parameters

(2020) Franco Lombardo et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Prediction of volume of distribution in humans: analysis of eight methods and their application in drug discovery

(2019) Carl Petersson et al.   XENOBIOTICA

In Silico Prediction of Human Intravenous Pharmacokinetic Parameters with Improved Accuracy

(2019) Yuchen Wang et al.   Journal of Chemical Information and Modeling

Investigation of Factors Affecting the Performance of In silico Volume Distribution QSAR Models for Human, Rat, Mouse, Dog & Monkey

(2019) Saw Simeon et al.   Molecular Informatics

An Accurate In Vitro Prediction of Human VDss Based on the Øie–Tozer Equation and Primary Physicochemical Descriptors. 3. Analysis and Assessment of Predictivity on a Large Dataset

(2019) Giuliano Berellini et al.   DRUG METABOLISM AND DISPOSITION

Evaluation of Fraction Unbound Across 7 Tissues of 5 Species

(2019) Sangwoo Ryu et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Structural attributes influencing unbound tissue distribution

(2019) Christine C. Orozco et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Comparing Mechanistic and Preclinical Predictions of Volume of Distribution on a Large Set of Drugs

(2018) Rosa Chan et al.   PHARMACEUTICAL RESEARCH

Prediction of volume of distribution in preclinical species and humans: application of simplified physiologically based algorithms

(2018) Prashant B. Nigade et al.   XENOBIOTICA

TREND ANALYSIS OF A DATABASE OF INTRAVENOUS PHARMACOKINETIC PARAMETERS IN HUMANS FOR 1352 DRUG COMPOUNDS

(2018) Franco Lombardo et al.   DRUG METABOLISM AND DISPOSITION

Robust QSAR prediction models for volume of distribution at steady state in humans using relative distance measurements

(2018) I. Luque Ruiz et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Prediction of Human Distribution Volumes of Compounds in Various Elimination Phases Using Physiologically Based Pharmacokinetic Modeling and Experimental Pharmacokinetics in Animals

(2018) Hidetoshi Shimizu et al.   DRUG METABOLISM AND DISPOSITION

Clearance in Drug Design

(2018) Dennis A. Smith et al.   JOURNAL OF MEDICINAL CHEMISTRY

An Integrated Transfer Learning and Multitask Learning Approach for Pharmacokinetic Parameter Prediction

(2018) Zhuyifan Ye et al.   MOLECULAR PHARMACEUTICS

Relevance of Half-Life in Drug Design

(2017) Dennis A. Smith et al.   JOURNAL OF MEDICINAL CHEMISTRY

Passive drug permeation through membranes and cellular distribution

(2017) D.O. Scott et al.   PHARMACOLOGICAL RESEARCH

In Silico Prediction of Volume of Distribution in Humans. Extensive Data Set and the Exploration of Linear and Nonlinear Methods Coupled with Molecular Interaction Fields Descriptors

(2016) Franco Lombardo et al.   Journal of Chemical Information and Modeling

Are Physiologically Based Pharmacokinetic Models Reporting the Right Cmax? Central Venous Versus Peripheral Sampling Site

(2015) Helen Musther et al.   AAPS Journal

Volume of Distribution in Drug Design

(2015) Dennis A. Smith et al.   JOURNAL OF MEDICINAL CHEMISTRY

Discovery of (10R)-7-Amino-12-fluoro-2,10,16-trimethyl-15-oxo-10,15,16,17-tetrahydro-2H-8,4-(metheno)pyrazolo[4,3-h][2,5,11]-benzoxadiazacyclotetradecine-3-carbonitrile (PF-06463922), a Macrocyclic Inhibitor of Anaplastic Lymphoma Kinase (ALK) and c-ros Oncogene 1 (ROS1) with Preclinical Brain Exposure and Broad-Spectrum Potency against ALK-Resistant Mutations

(2014) Ted W. Johnson et al.   JOURNAL OF MEDICINAL CHEMISTRY

Medicinal Chemistry Design Principles for Liver Targeting Through OATP Transporters

(2013) Meihua Tu et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Interpretable, Probability-Based Confidence Metric for Continuous Quantitative Structure–Activity Relationship Models

(2013) Christopher E. Keefer et al.   Journal of Chemical Information and Modeling

Prediction of volume of distribution at steady state in humans: comparison of different approaches

(2012) Peng Zou et al.   Expert Opinion on Drug Metabolism & Toxicology

Comprehensive Assessment of Human Pharmacokinetic Prediction Based on In Vivo Animal Pharmacokinetic Data, Part 2: Clearance

(2012) Franco Lombardo et al.   JOURNAL OF CLINICAL PHARMACOLOGY

Comprehensive Assessment of Human Pharmacokinetic Prediction Based on In Vivo Animal Pharmacokinetic Data, Part 1: Volume of Distribution at Steady State

(2012) Franco Lombardo et al.   JOURNAL OF CLINICAL PHARMACOLOGY

Species Differences in Distribution and Prediction of Human Vss from Preclinical Data

(2011) L. M. Berry et al.   DRUG METABOLISM AND DISPOSITION

Human Pharmacokinetic Prediction of UDP-Glucuronosyltransferase Substrates with an Animal Scale-Up Approach

(2011) T. Deguchi et al.   DRUG METABOLISM AND DISPOSITION

Prediction of Human Renal Clearance from Preclinical Species for a Diverse Set of Drugs That Exhibit Both Active Secretion and Net Reabsorption

(2011) S. W. Paine et al.   DRUG METABOLISM AND DISPOSITION

PhRMA CPCDC initiative on predictive models of human pharmacokinetics, part 2: Comparative assessment of prediction methods of human volume of distribution

(2011) Rhys Do Jones et al.   JOURNAL OF PHARMACEUTICAL SCIENCES

Contribution of molecular properties to extrapolation of the volume of distribution in human from preclinical animal species data

(2010) Xiaofan Sui et al.   BIOPHARMACEUTICS & DRUG DISPOSITION

Use of the Oie-Tozer Model in Understanding Mechanisms and Determinants of Drug Distribution

(2010) N. J. Waters et al.   DRUG METABOLISM AND DISPOSITION

Effects of Drug Transporters on Volume of Distribution

(2009) Anita Grover et al.   AAPS Journal

Modulation of the Partition Coefficient between Octanol and Buffer at pH 7.4 and pKa to Achieve the Optimum Balance of Blood Clearance and Volume of Distribution for a Series of Tetrahydropyran Histamine Type 3 Receptor Antagonists

(2009) T. Hay et al.   DRUG METABOLISM AND DISPOSITION

Prediction of Vss from In Vitro Tissue-Binding Studies

(2009) L. M. Berry et al.   DRUG METABOLISM AND DISPOSITION

Prediction of volume of distribution values in human using immobilized artificial membrane partitioning coefficients, the fraction of compound ionized and plasma protein binding data

(2009) Xiaofan Sui et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

In Silico Prediction of Volume of Distribution in Human Using Linear and Nonlinear Models on a 669 Compound Data Set

(2009) Giuliano Berellini et al.   JOURNAL OF MEDICINAL CHEMISTRY

Predicting the Volume of Distribution of Drugs in Humans

(2008) Xiaofan Sui et al.   CURRENT DRUG METABOLISM