Highlights•Six commonly used machine learning methods in QSAR models are
summarized.•Newly developed combinatorial QSAR and hybrid QSAR methods are …

Oral inhalation results in pulmonary drug targeting and thereby reduces systemic side
effects, making it the preferred means of drug delivery for the treatment of respiratory …

Apart from efficacy and toxicity, many drug development failures are imputable to poor
pharmacokinetics and bioavailability. Gastrointestinal absorption and brain access are two …

In this work spectroscopic measurements, process data and Critical Material Attributes
(CMAs) are used to predict the in vitro dissolution profile of sustained-release tablets with …

Read-across is an in silico method applied in chemical risk assessment for data-poor
chemicals. The read-across outcomes for repeated-dose toxicity end points include the no …

We [1, 2] and others [3- 5] have been interested in designing and making new molecules
that have biological activities, medicinal uses, coordination behaviors [6- 8] and studying …

Introduction: Big-data-driven drug development resources and methodologies have been
evolving with ever-expanding data from large-scale biological experiments, clinical trials …

Drug discovery and development are aimed at identifying new chemical molecular entities
(NCEs) with desirable pharmacokinetic profiles for high therapeutic efficacy. The plasma …

The oral drug bioavailability (BA) problems have remained inevitable over the years,
impairing drug efficacy and indirectly leading to eventual human morbidity and mortality …

Background The unique anthropological coronavirus which has been titled as SARS-CoV-2
was originally arisen in late 2019 in Wuhan, China affecting respiratory infection named as …