From owner-chemistry "-at-" ccl.net Wed Jul 21 08:07:00 2010 From: "Wilfried Langenaeker wilfried.langenaeker(0)silicos.com" To: CCL Subject: CCL:G: Silicos goes Open Source Message-Id: <-42315-100721014934-11380-IwfayYlrblGNboM+Qls+ag _ server.ccl.net> X-Original-From: Wilfried Langenaeker Content-Type: multipart/alternative; boundary=Apple-Mail-1-736454646 Date: Wed, 21 Jul 2010 07:49:25 +0200 Mime-Version: 1.0 (Apple Message framework v936) Sent to CCL by: Wilfried Langenaeker [wilfried.langenaeker _ silicos.com] --Apple-Mail-1-736454646 Content-Type: text/plain; charset=ISO-8859-1; format=flowed; delsp=yes Content-Transfer-Encoding: quoted-printable PRESS RELEASE: SILICOS NV PORTS ITS PROPRIETARY COMPUTATIONAL CHEMISTRY SOFTWARE INTO =20= THE OPEN SOURCE DOMAIN On June 22, 2010, the Belgium-based computational chemistry company =20 Silicos NV has made a strategic decision to port the majority of its proprietary software =20 into the open source arena. The decision has been made to port all of these tools and the =20 corresponding C/C++ API's into the Open Babel environment under a GNU GPL licensing scheme. This strategic =20 decision will position Silicos NV as one of the leading computational chemistry services =20 companies to support the open source business model. According to Hans De Winter, Silicos' CSO, 'the =20= decision will allow Silicos to move forward rapidly on the expanding wave of open source software =20 tools, and will significantly expand its possibilities of providing services to customers in the =20 pharmaceutical and biotechnological industry.' About Silicos' proprietary software tools Spectrophores=99 are Silicos' patented 3D-field descriptors. =20 Spectrophores=99 are a one-dimensional description of three-dimensional molecular properties, such as atomic =20= electrostatic charges, atomic lipophilicity, atomic softness, atomic electrophilicity and =20 shape. Spectrophores=99 have been succesfully used for clients to build sophisticated QSAR models in =20 combination with many statistical modelling algorithms like bayesian classification and =20 support vector machines. Due to their numeric nature, Spectophores=99 are well-suited for the =20 calculation of self-organising maps. Pharao is Silicos' implementation of a pharmacophore-based alignment =20 tool. It uses a Gaussian representation of pharmacophoric features and generates an alignment =20 between pairs of a set of pharmacophores. The resulting match is quantified using different =20 measures including a Tanimoto coefficient. Piramid is Silicos' software tool incorporating a shape-based =20 alignment between pairs of molecules. Again, the resulting match is quantified using different =20 measures including a Tanimoto coefficient. Finally, Cosmos=99 is Silicos' patented technology for the design of =20 novel molecules using an evolutionary algorithm and using user-specified scoring functions. The =20= tool has been adapted to be used in a fragment-based discovery enviroment. It has been =20 succesfully used in a number of drug discovery programs in which Cosmos=99 was able to generate novel =20= chemistry that has not been described before. The strength of Cosmos=99 lies in its multi-=20 objective optimisation algorithm as well as in the fact that virtually all kinds of scoring functions =20 can be integrated. About Silicos NV Silicos NV is providing services in the field of computational =20 chemistry and virtual screening. The company was founded in 2005 by two former employees of a major =20 pharmaceutical company in Belgium and a former researcher at the ESAT-group of the Catholic =20 University of Louvain. Silicos is a spin-out of the Catholic University of Louvain. For more information For more information regarding Silicos NV, please visit the website at = www.silicos.com=20 or contact Wilfried Langenaeker at +32 478 98 12 20. Silicos NV Wetenschapspark 7 B-3590 Diepenbeek Belgium www.silicos.com --Apple-Mail-1-736454646 Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable PRESS = RELEASE: 
SILICOS NV PORTS ITS PROPRIETARY = COMPUTATIONAL CHEMISTRY SOFTWARE INTO THE 
 
On June 22, 2010, the = Belgium-based computational chemistry company Silicos NV has made = a 
strategic decision to port the majority of = its proprietary software into the open source arena. The 
Silicos NV as one of the = leading computational chemistry services companies to support the = open 
source business model. According to Hans = De Winter, Silicos' CSO, 'the decision will allow Silicos = to 
move forward rapidly on the expanding wave = of open source software tools, and will significantly 
biotechnological = industry.' 
 
 
About Silicos' = proprietary software tools 
 
atomic lipophilicity, atomic = softness, atomic electrophilicity and shape. Spectrophores=99 have = been 
succesfully used for clients to build = sophisticated QSAR models in combination with many 
their numeric nature, = Spectophores=99 are well-suited for the calculation of self-organising = maps. 
 
Pharao is = Silicos' implementation of a pharmacophore-based alignment tool. It uses = a Gaussian 
representation of pharmacophoric features = and generates an alignment between pairs of a set of 
coefficient. 
 
Piramid is = Silicos' software tool incorporating a shape-based alignment between = pairs of 
molecules. Again, the resulting match is = quantified using different measures including a Tanimoto 
 
be used in a fragment-based = discovery enviroment. It has been succesfully used in a number = of 
drug discovery programs in which Cosmos=99 = was able to generate novel chemistry that has not 
 
 
About Silicos = NV 
 
Silicos NV is providing = services in the field of computational chemistry and virtual screening. = The 
company was founded in 2005 by two former = employees of a major pharmaceutical company in 
a spin-out of the = Catholic University of Louvain. 
 
For more = information 
 
For more information = regarding Silicos NV, please visit the website at www.silicos.com or = contact 
Wilfried Langenaeker at +32 478 98 12 = 20. 
 
Silicos NV 
B-3590 = Diepenbeek 
Belgium 
www.silicos.com 


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