Re: QSAR - chemical compounds available for purchase by companies in the life sciences area

Dear colleagues,
Following Dr Kubinyi last e-mail to this list, here are important details
to his answer and to the table he enclosed:

*ACD does not stand for the most commonly known database ( MDL Available
Chemicals Directory ; >400,000 structural entries) but for a much smaller
database which name is now "ACB Blocks" from a company which is based in
Moscow (www.acbblocks.com). The former name of this company was ACD
Chemicals and the database ACD !!! .
  In the poster we had no room to put the addresses of the providers of the
databases and, in the abstract, we made a spelling mistake naming this
company ACDBlocks instead of ACBBlocks, this is certainly the cause of the
confusion. Here is for the supposed wrong number.

*concerning the outdated numbers, all the databases were collected in
October 2001, thus some of them may have sensibly increased their size.

A paper about these databases is in preparation

Yours Faithfully,
LMA

P.S: Nicolas Baurin, the main author of the discussed poster, has left my
group after his PhD (the chapter of his thesis dealing with "Analysis of
chemical libraries" was used as a basis for writing the QSAR2002 abstract).
He is now working for RiboTargets Ltd, Cambridge, UK where you might
contact him at n.baurin:ribotargets.com

At 19:21 14/12/2002 +0000, Hugo Kubinyi wrote:
>Dear colleagues,
>
>at the EuroQSAR 2002 in Bournemouth, September 2002, Nicolas Baurin, CNRS -
>Université d'Orleans, presented a poster, which contained a statistics of
>commercially available compounds (referring to November 2001).
>
>As this list might be of interest for many members of our Society, I send
>my reply to the list. Some of the figures may be outdated, some may be
>even wrong. Especially the ACD figures look very suspicious. I can only
>confirm that my table presents the numbers given at this poster. For more
>infos, please contact Nicolas Baurin directly, E-mail
>nicolas.baurin|a|univ-orleans.fr .
>
>Best regards
>
>Hugo Kubinyi
>
>
>
>
>"Parthiban Srinivasan"
><parthi.s,,jubilantbiosys.com> schrieb:
> > Dear Colleagues:
> > As computational chemists these days involve very much
>on deciding which compound to purchase based on some
>diversity/similarity criteria I want to get the information
>from you on the list of chemical companies providing
>compounds for purchase in the life sciences area. Thanks.
> >
> > S Parthiban
> > Jubilant Biosys
> >
>
>
>--
>Prof. Dr. Hugo Kubinyi, Donnersbergstrasse 9
>D-67256 Weisenheim am Sand, Germany
>FAX +49-6353-508233, E-mail kubinyi^_^t-online.de
>HomePage http://home.t-online.de/home/kubinyi
>

Prof. Luc Morin-Allory;
Lab. of molecular modelling and chemometrics
Institut de Chimie Organique et Analytique (ICOA); UMR CNRS 6005
Université d'Orléans; BP 6759
F 45067 Orléans Cedex2
Tel +33 (0)238 41 70 42 Fax +33 (0)238 41 72 81
eMail : luc.morin-allory(_)univ-orleans.fr;
http://www.univ-orleans.fr/SCIENCES/ICOA
Received on 2002-12-16 - 12:55 GMT