Abstract The Global Cancer Statistics 2020 reported breast cancer (BC) as the most
common diagnosis of cancer type. Therefore, early detection of such type of cancer would …

Anti-cancer drug design has been acknowledged as a complicated, expensive, time-
consuming, and challenging task. How to reduce the research costs and speed up the …

Abstract Recently, Large Language Models (LLMs) have demonstrated impressive
capability to solve a wide range of tasks. However, despite their success across various …

Abstract Machine learning (ML) applications have become ubiquitous in all fields of
research including protein science and engineering. Apart from protein structure and …

The field of drug discovery has experienced a remarkable transformation with the advent of
artificial intelligence (AI) and machine learning (ML) technologies. However, as these AI and …

In the field of computer science, known as artificial intelligence, algorithms imitate reasoning
tasks that are typically performed by humans. The techniques that allow machines to learn …

Drug discovery is an expensive and risky process. To combat the challenges in drug
discovery, an increasing number of researchers and pharmaceutical companies recognize …

The field of drug discovery is continually advancing with the emergence of new technologies
and scientific developments. Moreover, there is a recent growing interest in exploiting …

Motivation Understanding drug–response differences in cancer treatments is one of the most
challenging aspects of personalized medicine. Recently, graph neural networks (GNNs) …

The adoption of “artificial intelligence (AI) in drug discovery”, where AI is used in the process
of pharmaceutical research and development, is progressing. By using the ability to process …