Although thousands of quantitative structure–activity and structure–property relationships
(QSARs/QSPRs) have been published, as well as numerous papers on the correct …

ADME prediction is an extremely challenging area as many of the properties we try to predict
are a result of multiple physiological processes. In this review we consider how in-silico …

A set of simple, consistent structure–property guides have been determined from an analysis
of a number of key ADMET assays run within GSK: solubility, permeability, bioavailability …

Accurate prediction of thermodynamic solubility by machine learning remains a challenge.
Recent models often display good performances, but their reliability may be deceiving when …

Soil remediation requires technologies to restore contaminated soil to a state that is
environmentally acceptable. In most cases, while the soil can be remediated the …

Aqueous solubility is one of the major physiochemical properties to be optimized in drug
discovery. It is related to absorption and distribution in the ADME-Tox (Absorption …

Background: Theoretical models for predicting absorption, distribution, metabolism and
excretion (ADME) properties play increasingly important roles in support of the drug …

The absorption, distribution, metabolism, excretion, and toxicity (ADMET) of a compound is
dependent on physicochemical properties such as molecular size, lipophilicity, and …

Since many drug development projects fail during clinical trials due to poor ADME
properties, it is a wise practice to introduce ADME tests at the early stage of drug discovery …

Herein, we describe a novel CO2-switchable oil-in-water Pickering emulsion stabilized by
functionalized silica nanoparticles with a trace amount of myristylamidopropyl amine oxide …