Classifying “Kinase Inhibitor‐Likeness” by Using Machine‐Learning Methods

Classifying “Kinase Inhibitor‐Likeness” by Using Machine‐Learning Methods

Authors: Briem H, Gunther J
Publication: Chembiochem
Software: MedChem Studio™

By using an in-house data set of small-molecule structures, encoded by Ghose–Crippen parameters, several machine learning techniques were applied to distinguish between kinase inhibitors...

Application of Full Physiological Models for Pharmaceutical Drug Candidate Selection and Extrapolation of Pharmacokinetics to Man

Application of Full Physiological Models for Pharmaceutical Drug Candidate Selection and Extrapolation of Pharmacokinetics to Man

Publication: Basic Clin Pharmacol Toxicol
Software: GastroPlus®

This paper describes how we are applying physiologically based models of pharmacokinetics as an integrated part in the research and preclinical development of novel drugs.

Effect of Hepatic Impairment on the Pharmacokinetics of the Novel Glycopeptide Oritavancin

Effect of Hepatic Impairment on the Pharmacokinetics of the Novel Glycopeptide Oritavancin

Conference: AAPS

Oritavancin (ORI) is a semisynthetic glycopeptide being developed for the treatment of serious gram-positive infections. Physiochemical properties of ORI lead to extensive tissue distribution, with uptake…

Evaluation of the Bias and Precision of Bayesian Parameter Estimates When Applying a Phase I Model to Sparse Patient Data

Evaluation of the Bias and Precision of Bayesian Parameter Estimates When Applying a Phase I Model to Sparse Patient Data

Conference: AAPS

A simulation study was conducted to assess the use of a Phase 1 population PK model to estimate Bayesian parameters in Phase 2/3 patients. Specifically, the bias and precision of the Bayesian parameter…

Monte Carlo Simulation To Estimate In Vitro Susceptibility Breakpoints For Moxifloxacin, Gatifloxacin, And Levofloxacin Against Staphylococcus Aureus

Monte Carlo Simulation To Estimate In Vitro Susceptibility Breakpoints For Moxifloxacin, Gatifloxacin, And Levofloxacin Against Staphylococcus Aureus

Conference: ICAAC

Emerging resistance with staphylococci has called for a change in treatment paradigms and review of breakpoints. Current NCCLS breakpoints for gatifloxacin and levofloxacin against Staphylococcus spp...

Population Pharmacokinetics of Doripenem

Population Pharmacokinetics of Doripenem

Conference: ICAAC

Doripenem is a broad-spectrum carbapenem currently in development for treatment of bacterial infections. Previously, we presented a population pharmacokinetic (PK) model for doripenem in…

Population Pharmacokinetics of Tigecycline in Phase 1 Subjects

Population Pharmacokinetics of Tigecycline in Phase 1 Subjects

Conference: ICAAC

TGC is the first glycylcycline antimicrobial agent in development and has potent in vitro activity against many multi-drug resistant organisms. Given observed differences in the PK profiles after single...

Postoperative Infection Rate Following Cardiac Surgery With Allogeneic vs Other Blood Management Techniques

Postoperative Infection Rate Following Cardiac Surgery With Allogeneic vs Other Blood Management Techniques

Conference: Society for the Advancement of Blood Medicine (SABM)

Infection rates associated with allogeneic blood transfusion versus other blood management techniques were prospectively compared in elective cardiac surgery patients (anticipated blood loss > 1000 mL).

Blood Management and Infections in Cardiovascular and Orthopedic Surgery

Blood Management and Infections in Cardiovascular and Orthopedic Surgery

Conference: ASA

Numerous risks are associated with allogeneic blood transfusions. Various blood management techniques have evolved which minimize or eliminate the use of allogeneic blood. This study compared infection rates…

Regional Intestinal Absorption and Biliary Excretion of Fluvastatin in the Rat:  Possible Involvement of mrp2

Regional Intestinal Absorption and Biliary Excretion of Fluvastatin in the Rat:  Possible Involvement of mrp2

Publication: Mol Pharm
Software: GastroPlus®

The first purpose of this study was to investigate the in vivo absorption, biliary secretion, and first-pass effect of fluvastatin following regional intestinal dosing in the rat.