Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …

Molecular docking is an established in silico structure-based method widely used in drug
discovery. Docking enables the identification of novel compounds of therapeutic interest …

The field of graph neural networks (GNNs) has seen rapid and incredible strides over the
recent years. Graph neural networks, also known as deep learning on graphs, graph …

Given the high attrition rates, substantial costs and slow pace of new drug discovery and
development, repurposing of'old'drugs to treat both common and rare diseases is …

The ability to computationally predict whether a compound treats a disease would improve
the economy and success rate of drug approval. This study describes Project Rephetio to …

Motivation: Drug repositioning, which aims to identify new indications for existing drugs,
offers a promising alternative to reduce the total time and cost of traditional drug …

Drug repositioning can drastically decrease the cost and duration taken by traditional drug
research and development while avoiding the occurrence of unforeseen adverse events …

Experimental determination of drug-target interactions is expensive and time-consuming.
Therefore, there is a continuous demand for more accurate predictions of interactions using …

Highlights•Understanding the existing drug repositioning methods with a top-down
flowchart.•Prioritizing repositioning methods using their integrated knowledge and …

Breast cancer (BC) is mostly observed in women and is responsible for huge mortality in
women subjects globally. Due to the continued development of drug resistance and other …