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 …

As in many areas of science and technology, artificial intelligence (AI) is currently promoted
with high expectations in drug discovery and medicinal chemistry. Here, AI mostly refers to …

The intertwining of chemoinformatics with artificial intelligence (AI) has given a tremendous
fillip to the field of drug discovery. With the rapid growth of chemical data from high …

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

Abstract Machine learning (ML) is becoming capable of transforming biomolecular
interaction description and calculation, promising an impact on molecular and drug design …

In recent decades, artificial intelligence and machine learning have played a significant role
in increasing the efficiency of processes across a wide spectrum of industries. When it …

Drug discovery aims at finding new compounds with specific chemical properties for the
treatment of diseases. In the last years, the approach used in this search presents an …

In chemoinformatics and medicinal chemistry, machine learning has evolved into an
important approach. In recent years, increasing computational resources and new deep …

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

Highlights•Drug discovery has been advanced to a big data era with a large amount of
public data sources available.•Ten V features (volume, velocity, variety, veracity, validity …