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snoopyzhao

至尊木虫 (职业作家)

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[交流] 【分享】Silicos goes Open Source

PRESS RELEASE:
SILICOS NV PORTS ITS PROPRIETARY COMPUTATIONAL CHEMISTRY SOFTWARE INTO THE
OPEN SOURCE DOMAIN

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
decision has been made to port all of these tools and the corresponding C/C++ API's into the Open
Babel environment under a GNU GPL licensing scheme. This strategic decision will position
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
expand its possibilities of providing services to customers in the pharmaceutical and
biotechnological industry.'

About Silicos' proprietary software tools

Spectrophores™ are Silicos' patented 3D-field descriptors. Spectrophores™ are a one-dimensional
description of three-dimensional molecular properties, such as atomic electrostatic charges,
atomic lipophilicity, atomic softness, atomic electrophilicity and shape. Spectrophores™ have been
succesfully used for clients to build sophisticated QSAR models in combination with many
statistical modelling algorithms like bayesian classification and support vector machines. Due to
their numeric nature, Spectophores™ 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
pharmacophores. The resulting match is quantified using different measures including a Tanimoto
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
coefficient.

Finally, Cosmos™ is Silicos' patented technology for the design of novel molecules using an
evolutionary algorithm and using user-specified scoring functions. The tool has been adapted to
be used in a fragment-based discovery enviroment. It has been succesfully used in a number of
drug discovery programs in which Cosmos™ was able to generate novel chemistry that has not
been described before. The strength of Cosmos™ lies in its multi-objective optimisation algorithm
as well as in the fact that virtually all kinds of scoring functions can be integrated.

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
Belgium and a former researcher at the ESAT-group of the Catholic 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 or contact
Wilfried Langenaeker at +32 478 98 12 20.

Silicos NV
Wetenschapspark 7
B-3590 Diepenbeek
Belgium
www.silicos.com

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