We present a comprehensive analysis of all ring systems (both heterocyclic and
nonheterocyclic) in clinical trial compounds and FDA-approved drugs. We show 67% of …

The key objectives of medicinal chemistry are to efficiently design and synthesize bioactive
compounds that have the potential to become safe and efficacious drugs. Most medicinal …

Building upon the OPLS3 force field we report on an enhanced model, OPLS3e, that further
extends its coverage of medicinally relevant chemical space by addressing limitations in …

We introduce the Open Force Field (OpenFF) 2.0. 0 small molecule force field for drug-like
molecules, code-named Sage, which builds upon our previous iteration, Parsley. OpenFF …

New advances in synthetic methodologies that allow rapid access to a wide variety of
functionalized heterocyclic compounds are of critical importance to the medicinal chemist as …

We have analyzed the rings, ring systems, and frameworks in drugs listed in the FDA
Orange Book to understand the frequency, timelines, molecular property space, and the …

Transition-metal-catalyzed reactions have been studied since the very beginning of the past
century and represent a great success in organic chemistry, along with the birth and growth …

Conspectus One of the simplest questions that can be asked about molecular diversity is
how many organic molecules are possible in total? To answer this question, my research …

Skeletal editing involves making specific point‐changes to the core of a molecule through
the selective insertion, deletion or exchange of atoms. It thus represents a potentially …

This review which is the second in this series summarises the most common synthetic routes
as applied to the preparation of many modern pharmaceutical compounds categorised as …