Introduction

The continuous exploration of the chemical space of molecules to find ligands with high affinity and specificity for targets of interest is an important topic in drug discovery. Cyclic compounds with novel structures and diverse scaffolds provide clues for drug design. However, no studies have been conducted to systematically organize and discuss the classification of cyclic compounds in drugs or drug-like compounds. D3Rings is a new method to identify and classify the characteristic cyclic compounds. It was developed for the purpose of screening acyclic compounds, monocyclic compounds, spiro ring compounds, fused and bridged ring, cage ring compounds, macrocyclic compounds from datasets and compute the maximum number of fused rings in the molecules.