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.

Information on the freeware version and an ActiveX version are available from the websites listed below.

Project Website:

Link to Freeware ACD/ChemSketch

Link to Commercial ACD/ChemSketch

Link to ACD/3D Viewer

Link to ACD/MolX

References

1. Li, Z and Wan, H and Shi, Y and Ouyang, P. Personal Experience with Four Kinds of Chemical Structure Drawing Software: Review on ChemDraw, ChemWindow, ISIS/Draw, and ChemSketch. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES 44(5):1886--1890, 2004. BibTeX [li04]

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

 3. Pavel Simakov. Science, 2001, Vol. 291, No. 5511, Page 2179-2181. Link

 4. Gary O. Spessard. ACD Labs/LogP dB 3.5 and ChemSketch 3.5. J. Chem. Inf. Comput. Sci., 1998, Vol. 38, No. 6, 1250-1253. DOI: 10.1021/ci980264t

 5. Sadanand Pathre. Predicting 13C NMR Spectra: ACD/CNMR. Analytical Chemistry, 1996, 68, 740A-741A. Link