Recently, artificial intelligence (AI) techniques have been increasingly used to overcome the
challenges in drug discovery. Although traditional AI techniques generally have high …

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 …

Artificial intelligence (AI) is having a growing impact in many areas related to drug discovery.
However, it is still critical for their adoption by the medicinal chemistry community to achieve …

This chapter comprehensively explores the pivotal role of artificial intelligence (AI) in drug
discovery and development, encapsulating its potentials, methodologies, real-world …

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) has been transforming the practice of drug discovery in the past
decade. Various AI techniques have been used in many drug discovery applications, such …

Conventional wet laboratory testing, validations, and synthetic procedures are costly and
time-consuming for drug discovery. Advancements in artificial intelligence (AI) techniques …

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

The application of Explainable Artificial Intelligence (XAI) in the field of chemistry has
garnered growing interest for its potential to justify the prediction of black-box machine …

Most machine learning (ML) models produce black box predictions that are difficult, if not
impossible, to understand. In pharmaceutical research, black box predictions work against …