Artificial intelligence (AI) tools are increasingly being applied in drug discovery. While some
protagonists point to vast opportunities potentially offered by such tools, others remain …

We are pleased to introduce the Special Issue “Artificial Intelligence in Drug Discovery”
highlighting the emerging role of artificial intelligence (AI) in pharmaceutical research. A …

Artificial intelligence in drug design in experiencing a wave of excitement not seen since the
emergence of computational chemistry in the late 1980s and early 1990s. Apparently failing …

Highlights•Drug discovery data and data from other sources are different in quantity and
characteristics.•This article underlines the difference of data from different domains.•In order …

Introduction: Artificial intelligence (AI) has inspired computer-aided drug discovery. The
widespread adoption of machine learning, in particular deep learning, in multiple scientific …

Artificial intelligence (AI) has permeated various sectors, including the pharmaceutical
industry and research, where it has been utilized to efficiently identify new chemical entities …

Artificial intelligence (AI) is becoming an integral part of drug discovery. It has the potential to
deliver across the drug discovery and development value chain, starting from target …

Drug discovery and development are among the most important translational science
activities that contribute to human health and wellbeing. However, the development of a new …

Mind and machine in drug design | Nature Machine Intelligence Skip to main content Thank
you for visiting nature.com. You are using a browser version with limited support for CSS. To …

Highlights•Artificial Intelligence (AI) has transformed many areas such as speech and image
recognition, but not yet drug discovery.•Approaches to AI in drug discovery need to take in …