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Welcome to the Parameter Client home page! start the programmirror connectionParameter Client provides an interface to different programs that calculate several groups of indices with a total number of >3,000. Molecules can be input in SMILES or SDF format. 2D and 3D SDF files are distinguished. SMILES can be input with the help of JME molecular editor. If the 3D atom coordinates are needed for parameter calculation, they are obtained with the help of CORINA, provided by Molecular Networks GmbH. Parameter Client will provide an interface for DRAGON
, developed by
Prof. Todeschini, ETState - program for the calculation of electrotopological
state molecular indices, developed by Drs. Tanchuk and Tetko and two sets of fragment descriptors
GSFRAG and GSFRAG-L developed by group of
Prof. Zefirov. DRAGON requires 3D optimised structures
with HYDROGENS. |
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Copyright 2001 -- 2009 http://www.vcclab.org. All rights reserved. |
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