Phenotype-based compound screening has advantages over target-based drug discovery,
but is unscalable and lacks understanding of mechanism of drug action. A chemical-induced …

Severe Acute Respiratory Syndrome Corona Virus 2 has altered life on a global scale. A
concerted effort from research labs around the world resulted in the identification of potential …

Strategies for drug discovery and repositioning are urgently need with respect to COVID-19.
Here we present REDIAL-2020, a suite of computational models for estimating small …

Deep learning is rapidly advancing many areas of science and technology with multiple
success stories in image, text, voice and video recognition, robotics, and autonomous …

A variety of machine learning methods such as naive Bayesian, support vector machines
and more recently deep neural networks are demonstrating their utility for drug discovery …

Bridging systems biology and drug design, we propose a deep learning framework for de
novo discovery of molecules tailored to bind with given protein targets. Our methodology is …

The COVID-19 pandemic calls for rapid development of effective treatments. Although
various drug repurpose approaches have been used to screen the FDA-approved drugs and …

Drug discovery focused on target proteins has been a successful strategy, but many
diseases and biological processes lack obvious targets to enable such approaches. Here, to …

There is an urgent need for the identification of effective therapeutics for COVID-19 and we
have developed a machine learning drug discovery pipeline to identify several drug …

The clinical efficacy and safety of a drug is determined by its molecular properties and
targets in humans. However, proteome-wide evaluation of all compounds in humans, or …