Introduction: Drug repurposing provides a cost-effective strategy to re-use approved drugs
for new medical indications. Several machine learning (ML) and artificial intelligence (AI) …

Cancer management is major concern of health organizations and viral cancers account for
approximately 15.4% of all known human cancers. Due to large number of patients, efficient …

This review seeks to provide a timely survey of the scope and limitations of cheminformatics
methods in natural product‐based drug discovery. Following an overview of data resources …

Drug development involves a deep understanding of the mechanisms of action and possible
side effects of each drug, and sometimes results in the identification of new and unexpected …

Simple Summary Since its first description 35 years ago, the transcription factor NF-κB
(nuclear factor κ-light-chain-enhancer of activated B cells) has been shown to be a key …

In the ever-evolving field of drug discovery, the integration of Artificial Intelligence (AI) and
Machine Learning (ML) with cheminformatics has proven to be a powerful combination …

We present MuSSeL, a multifingerprint similarity search algorithm, able to predict putative
drug targets for a given query small molecule as well as to return a quantitative assessment …

In December 2019, a new coronavirus was identified in the Hubei province of central china
and named SARS-CoV-2. This new virus induces COVID-19, a severe respiratory disease …

Computational methods for target prediction, based on molecular similarity and network-
based approaches, machine learning, docking and others, have evolved as valuable and …

The recent outbreak of COVID-19 has generated an enormous amount of Big Data. To date,
the COVID-19 Open Research Dataset (CORD-19), lists∼ 130,000 articles from the WHO …