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

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 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 …

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 …

Currently, machine learning methods drive the success of artificial intelligence in academia
and industry. Among machine learning methods, Deep Learning has emerged as a game …

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 …

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 …

The paper presents a comprehensive overview of the use of artificial intelligence (AI)
systems in drug design. Neural networks, which are one of the systems employed in AI, are …

Chemoinformatics strategies to improve drug discovery results With contributions from
leading researchers in academia and the pharmaceutical industry as well as experts from …

QSAR. Despite this long tradition, machine learning methods gained substantial momentum
recently triggered by the success of deep learning in many application areas. 1 A wide …