Empowering proprietary and open source technologies

Silicos' proprietary virtual screening technology is based on a unique concept called Spectrophores™. These are descriptors reflecting all possible three-dimensional molecular properties which are involved in the binding of a drug to its receptor, including electrostatic potential, lipophilicity, softness, and shape.

Cosmos™ is Silicos' proprietary platform for the in silico, de novo design of small molecules. The program serves as a fragment-based molecular optimization application, in which novel molecules are generated by combining fragments in a virtual synthesis step. These molecular structures are further optimized in single or multi-objective optimisation procedures. The evaluation of the quality of the molecules can be ligand-based or target-based which makes Cosmos™ a very flexible platform for de novo drug discovery.

Pharao is a pharmacophore-based tool to score and align small molecules. The tool is based on the concept of modeling pharmacophoric features by Gaussian 3D volumes instead of the more common point or sphere representations. The smooth nature of these continuous functions has a beneficent effect on the optimization problem introduced during alignment.

SiMath is Silicos' open source API for statistical and mathematical data modeling. SiMath is C++ library which integrates several open source libraries into one library and which can easily included in other applications.