Artificial intelligence (AI) has transformed pharmacological research through machine
learning, deep learning, and natural language processing. These advancements have …

Abstract The workshop “Drug Permeability-Best Practices for Biopharmaceutics
Classification System (BCS) Based Biowaivers” was held virtually on December 6, 2021 …

Implementing effective environmental management strategies requires a comprehensive
understanding of the chemical composition of environmental pollutants, particularly in …

This systematic review, which was carried out between 2018 and 2022 in accordance with
PRISMA principles, assesses how machine learning (ML) and other computational …

Betulin, or naturally occurring triterpene, possesses promising antiproliferative activity. To
further explore this potential, thirty-eight betulin acid ester derivatives modified at the C-28 …

The webinar series and workshop titled Trust Your Gut: Establishing Confidence in
Gastrointestinal Models–An Overview of the State of the Science and Contexts of Use was …

In drug discovery, in vitro and in vivo experiments reveal biochemical activities related to the
efficacy and toxicity of compounds. The experimental data accumulate into massive, ever …

Predicting ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of
small molecules is a key task in drug discovery. A major challenge in building better ADMET …

Predicting ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of
small molecules is a key task in drug discovery. A major challenge in building better ADMET …

The aim of this work is to synthesize, characterize and evaluate the biological activity of a
series of hydrazone derivatives. These compounds were characterized by elemental …