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- Setting up a molecular Chemistry Search tool
- The Doctor
May 26, 2005, 6:03 am
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I am looking for a tool that whould search structures and partials
on a chemistry catalogue/database. I am reading up on a paper from
Austria, but I would like to avoid Pascal.
C / C++ / Perl referred.
Zny suggestions. Please e-mail me as I rarely read these lists.
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Re: Setting up a molecular Chemistry Search tool
The Doctor wrote:
It's been done. Long ago, why re-invent the wheel???
IsisDraw / IsisBase by MDL
ChemDraw / ChemFinder by Cambridgesoft
Also Accord by Accelrys - IIRC plug-ins for Excel and Access that allow
The searching part is easy, it's the way to define and check the chemistry
Don't repeat history, see unreported near misses in chemical lab/plant
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