Skip to main page content
U.S. flag

An official website of the United States government

Dot gov

The .gov means it’s official.
Federal government websites often end in .gov or .mil. Before sharing sensitive information, make sure you’re on a federal government site.

Https

The site is secure.
The https:// ensures that you are connecting to the official website and that any information you provide is encrypted and transmitted securely.

Access keys NCBI Homepage MyNCBI Homepage Main Content Main Navigation
. 2006 May-Jun;46(3):1107-23.
doi: 10.1021/ci050550m.

2D structure depiction

Alex M Clark  1 , Paul Labute, Martin Santavy
Affiliations

2D structure depiction

Alex M Clark et al. J Chem Inf Model. 2006 May-Jun.

Abstract

A comprehensive algorithm for the depiction of 2D coordinates of chemical structures is described. The methods used represent a significant improvement to the state of the art with regard to molecular connection graphs which pose particular difficulty to most layout efforts. Resulting coordinates are consistently of publication quality for a large subset of chemistry. The algorithm is discussed in detail, and measurements of its overall success are presented.

PubMed Disclaimer

LinkOut - more resources