Simulations Plus, in partnerships with pharmaceutical companies globally, has made significant investments in its ADMET Predictor® platform to implement...
Effect of the structural factors of organic compounds on the acute toxicity toward Daphnia magna
The acute toxicity of organic compounds towards Daphina magna was subjected to QSAR analysis.
Molecular engineering of safe and efficacious oral basal insulin
Recently, the clinical proof of concept for the first ultra-long oral insulin was reported, showing efficacy and safety similar to subcutaneously administered insulin glargine. Here, we report the molecular engineering as well as biological and pharmacological properties of these insulin analogues.
The good, the bad, and the ugly in chemical and biological data for machine learning
Machine learning and artificial intelligence (ML/AI) have become important research tools in molecular medicine and chemistry.
Safety, Tolerability, Pharmacokinetics, and Pharmacodynamics of the Anti‐CD38 Cytolytic Antibody TAK‐079 in Healthy Subjects
This investigation characterised tolerability, pharmacokinetics and pharmacodynamics of the
High-quality, User-friendly PK Data Analysis with PKPlus™
As more compounds are screened in animal studies, simplified PK/TK data analyses and modeling & simulation routines.
Simulation of Physicochemical and Pharmacokinetic Properties of Vitamin D3 and Its Natural Derivatives
Vitamin D3 is an endogenous fat-soluble secosteroid, either biosynthesized in human skin or absorbed from diet and health supplements.
Simulation of Physicochemical and Pharmacokinetic Properties of Vitamin D 3 and Its Natural Derivatives
Vitamin D3 is an endogenous fat-soluble secosteroid, either biosynthesized in human skin or absorbed from diet and health supplements.
Modeling in vitro Permeability with MembranePlus™
The chase is on to improve IVIVE approaches for compounds which are subject to complex absorption and clearance processes.
Using DDDPlus™ to Predict in vivo API Exposure Levels
There has been an increasing desire to incorporate mechanistic models of in vitro experiments to evaluate the interplay between...
Synthesis and Characterization of 9-(4-[18F]Fluoro-3-(hydroxymethyl)butyl)-2-(phenylthio)-6-oxopurine as a Novel PET Agent for Mutant Herpes Simplex Virus Type 1 Thymidine Kinase Reporter Gene Imaging
[18F]FHBG has been used as a positron emission tomography (PET) imaging tracer for the monitoring of herpes simplex virus type 1 thymidine kinase...
Teaching of Biopharmaceutics in a Drug Design Course: Use of GastroPlus as Educational Software
Drug design and development requires collaboration among scientists with diverse expertise.
Modeling of ayurveda ghee based solid lipid nano particles and their comprehensive pharmacokinetics study
Several experiments have been done with solid lipid nanoparticles (SLNPs) module to produce a potential oral drug delivery system.
Food Effects on Oral Drug Absorption: Application of Physiologically-Based Pharmacokinetic Modeling as a Predictive Tool
The bioavailability of an orally administered small molecule is often dictated by drug-specific...
Holistic Prediction of the pKa in Diverse Solvents Based on a Machine‐Learning Approach
While many approaches to predict aqueous pKa values exist, the fast and accurate prediction of non‐aqueous pKa values is still challenging.
Pentabromobenzyl-RP versus triazole-HILIC columns for separation of the polar basic analytes famotidine and famotidone: LC method development combined with in silico tools to follow the potential consequences of famotidine gastric instability
The competence of hydrophilic interaction (HILIC) and reversed phase liquid chromatography (RPLC) modes, employing two new stationary phases...
Global testing of a consensus solubility assessment to enhance robustness of the WHO biopharmaceutical classification system
The WHO Biopharmaceutical Classification System (BCS) is a practical tool to identify active pharmaceutical ingredients (APIs) that scientifically qualify for...
Feature of the week #94: Individual parameters
Monolix estimates the population parameters, which characterize the population. But often we also need the parameter values for each individual present in the dataset.
Simulations Plus Reports Third Quarter FY2020 Financial Results
Third Quarter and 9MoFY20 Revenues Grow 24%