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:
References
Cedric Mumford. School Science Review, June 2003, 84 (309)
Sadanand Pathre. Analytical Chemistry, 1996, 68, 740A-741A
Gary O. Spessard. J. Chem. Inf. Comput. Sci., Vol. 38, No. 6, 1998
Pavel Simakov. Science, 2001, Vol. 291, No. 5511, Page 2179
