CCL:G: Silicos goes Open Source

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 
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 
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 or contact 
Wilfried Langenaeker at +32 478 98 12 20. 
Silicos NV 
Wetenschapspark 7 
B-3590 Diepenbeek