Domain-aware artificial intelligence has been increasingly adopted in recent years to
expedite molecular design in various applications, including drug design and discovery …

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

As in other areas, artificial intelligence (AI) is heavily promoted in different scientific fields,
including chemistry. Although chemistry traditionally tends to be a conservative field and …

Artificial intelligence (AI) has played a vital role in computer-aided drug design (CADD). This
development has been further accelerated with the increasing use of machine learning (ML) …

Over the past decade, the amount of biomedical data available has grown at unprecedented
rates. Increased automation technology and larger data volumes have encouraged the use …

Anyone involved in designing or finding molecules in the life sciences over the past few
years has witnessed a dramatic change in how we now work due to the COVID-19 …

The widespread proliferation of artificial intelligence (AI) and machine learning (ML)
methods has a profound effect on the drug discovery process. However, many scientists are …

Artificial intelligence (AI)-aided drug design has demonstrated unprecedented effects on
modern drug discovery, but there is still an urgent need for user-friendly interfaces that …

For over a decade, cheminformatics has contributed to a wide array of scientific tasks from
analytical chemistry and biochemistry to pharmacology and drug discovery; and although its …

The application of deep learning to a diverse array of research problems has accelerated
progress across many fields, bringing conventional paradigms to a new intelligent era. Just …