Artificial intelligence (AI) has played a vital role in computer-aided drug design (CADD). This
development has been further accelerated with the increasing use of machine learning (ML) …

SARS-COV-2 has roused the scientific community with a call to action to combat the growing
pandemic. At the time of this writing, there are as yet no novel antiviral agents or approved …

Machine-learning (ML) and deep-learning (DL) approaches to predict the molecular
properties of small molecules are increasingly deployed within the design–make–test …

The screening of compound–protein interactions (CPIs) is one of the most crucial steps in
finding hit and lead compounds. Deep learning (DL) methods for CPI prediction can address …

Artificial intelligence (AI) has undergone rapid development in recent years and has been
successfully applied to real-world problems such as drug design. In this chapter, we review …

Machine-learning and deep-learning models have been extensively used in
cheminformatics to predict molecular properties, to reduce the need for direct …

Focused screening on target-prioritized compound sets can be an efficient alternative to
high throughput screening (HTS). For most biomolecular targets, compound prioritization …

Machine-learning (ML) and Deep-Learning (DL) approaches to predict the molecular
properties of small molecules are increasingly deployed within the design-make-test …

The disease which is today known as COVID-19 is caused by severe acute respiratory.
Syndrome coronavirus 2 (SARS-COV-2), was first reported in Wuhan, China in December …

The deadly outbreak of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) that
began in Wuhan city of China, late in 2019, has caused thousands of causalities globally …