QSAR - New DRAGON 5 version - software for molecular descriptors

From: Todeschini Roberto - Dip. di Scienze dell'Ambiente e del Territorio <roberto.todeschini]=[unimib.it>
Date: Mon, 22 Mar 2004 13:21:24 +0100

Chemometric brochure


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            DRAGON Software

            Software for the calculation of 1630 molecular descriptors

            Version 5

            Dear Colleagues,

            We would like to announce that the new DRAGON 5 version is now available.

            The new DRAGON 5 version has been improved as follows:

              a.. new descriptors have been added (ALOGP and some drug-like indices), providing a total of 1630 descriptors in place of 1612.

              b.. new molecule atoms can be processed (Cr, Mn, Mo, Ag, Cd, Pt, Au, Hg)

              c.. the atom weights have been revised and updated

              d.. some small bugs have been fixed

              e.. calculations of molecular descriptors also for H-depleted molecules.

              In this case, DRAGON will perform the calculations of those molecular descriptors which are H-invariant, i.e. the descriptors which values do not depend on the presence of the Hydrogen atoms (376 descriptors).

              Moreover, even 2D-autocorrelation descriptors can be calculated (97 descriptors).

              f.. further improvements have been performed for the use of DRAGON under Windows OS settled on not-Western languages.

            To evaluate the new DRAGON version, please follow the instructions below:

              1.. Download DRAGON 5 Evaluation version from http://www.talete.mi.it/Download.htm

              2.. Launch the Setup5.exe file to install DRAGON Evaluation version

            To all of you, please follow also the hint below:

              3.. Good work!

            Feel free to contact me for further information.

            Best regards,

                       Roberto Todeschini


            DRAGON WEB version

            At the moment the free downloadable DRAGON WEB version is no more available. This version not being maintained and upgraded in the last 2 years is no more reliable.


            For purchasing DRAGON

            Bank transfer to: TALETE srl (V.A.T. 01472000031) - Italy

            Banca Intesa, cc: 86576 / 93

            SWIFT code: BCITIT22015

            IBAN code: IT02 C030 6909 4840 0000 8657 693

            Web site: http://www.talete.mi.it

            For further information, send e-mail

                  DRAGON download





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Received on 2004-03-22 - 09:21 GMT

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