title: 2D structure depiction.
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.
authors.affiliation: Chemical Computing Group, Inc., 1010 Sherbrooke Street West, Suite 910, Montréal, Québec, Canada H3A 2R7. aclark@chemcomp.com
authors.forename: Alex M
authors.initials: AM
authors.lastname: Clark
authors.forename: Paul
authors.initials: P
authors.lastname: Labute
authors.forename: Martin
authors.initials: M
authors.lastname: Santavy