Hi all members,
I have tested Bio-Loom by Biobyte and find it very useful and practice
in all ways. You can only give the name of the compound and find results
you need in your QSAR analysis. Neural networks is still a black box because
you can not get a good interpretation to desired question. I like the way
of Corwin Hansch in quiding molecular modelling.
Sincerely,
Jarmo Huuskonen
>
> Virtual Computational Chemistry Laboratory site, http://www.vcclab.org
>
> Within the scope of the Virtual Computational Chemistry Laboratory
> INTAS grant 00-0363 we developed a multi-platform software system
> allowing the computational chemist to perform a comprehensive series
> of molecular indices/properties calculations and data analysis
> on-line at http://www.vcclab.org. The computational modules are
> written in C/C++/Basic/Java while the client interface is implemented
> as Java Applet. The modules include
>
> * E-Dragon -- calculation of ca. 1600 Dragon indices provided by
> Prof. Todeschini's group (maximum 100 molecules per batch, 2D=>3D
> conversion can be performed by Corina from Prof. Gasteiger's group)
> * PCLIENT -- extension of Dragon that calculates > 3,000 indices
> contributed by several laboratories
> * ALOGPS -- calculation of logP and logS values of compounds
> * ASNN, PLS, PNN, UFS -- data analysis programs
> * OpenBabel -- molecular conversion hub, http://openbabel.sf.net
>
> These modules are running in five different laboratories on about 20
> computers and on three different platforms. The VCCLAB site
> integrates all these resources.
>
> The software can be used for free on-line by all users. Standalone
> versions of some programs, ALOGPS, ASNN, can be also requested for
> the "in-house" use. The software is still experimental. If you have
> any suggestions how to improve it and make it more convenient for
> your use, please, contact us at "Dr. Igor Tetko" <itetko++vcclab.org>.
>
> VCCLAB consortium
> _______________________________________________
> qsar_society mailing list
> qsar_society]_[accelrys.com
> http://ftp2.accelrys.com/mailman/listinfo/qsar_society
>
Received on 2001-08-23 - 15:47 GMT
This archive was generated by hypermail 2.2.0 : 2005-11-24 - 10:21 GMT