ACD/ChemSketch

From NMR Wiki

Overview:

The ACD/ChemSketch contains tools for 2D structure cleaning, 3D optimization and viewing, InChI generation and conversion, drawing of polymers, organometallics, Markush structures, etc.

The 3D optimization is based on modified molecular mechanics which take into account bond stretching, angle bending, internal rotation, and Van der Waals non-bonded interactions.

Project Website:

Link to ACD/ChemSketch

Link to ACD/3D Viewer

References

Zhenjiang Li, Honggui Wan, Yuhu Shi, and Pingkai Ouyang. Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch. J.Chem.Inf.Comput.Sci. 2004, 44, 1886-1890. DOI: 10.1021/ci049794h

Cedric Mumford. School Science Review, June 2003, 84 (309) Link

Pavel Simakov. Science, 2001, Vol. 291, No. 5511, Page 2179

Gary O. Spessard. J. Chem. Inf. Comput. Sci., Vol. 38, No. 6, 1998

Sadanand Pathre. Analytical Chemistry, 1996, 68, 740A-741A