Researchers from the National University of Singapore (NUS) have pioneered a new catalytic transformation that converts ...

Small, polar rings and electron-withdrawing atoms are both well-loved motifs in medicinal chemistry. So oxetanes and fluorine atoms could be a match made in drug discovery heaven. Researchers devised ...

Computational chemistry describes the use of computer modelling and simulation – including ab initio approaches based on quantum chemistry, and empirical approaches – to study the structures ...

In this special issue in ACS Medicinal Chemistry Letters, you will find a collection of 14 publications which highlight significant successes made with artificial intelligence/machine learning (AI/ML) ...

Global AI Drug Discovery Center, College of Pharmacy, and Graduate School of Pharmaceutical Sciences, Ewha Womans University, Seoul 03760, Republic of Korea ...