Silicos NV is pleased to announce the release of its open source
online application tool called ProfiLIB, built on top of the Open
Babel 2.3.0 C++ library and incorporating many of Silicos' open source
programs. ProfiLIB is an online application tool that can be accessed
from the Silicos website without any charges [http://www.silicos.com].
An example report is also available from this website.
The profiLIB tool generates in an automated fashion a full report of
the molecular characteristics of a user-provided compound library. The
first part of the analysis is made in terms of molecular descriptors
and physico-chemical properties. These properties are compared to
Silicos' in-house vendor compound library Simosa™ to position the
input set in relation to an average sample of these vendor compounds.
Secondly, the library is mapped onto the vendor chemical space using
Silicos' open source Spectrophores™. This mapping is overlaid with a
set of diverse compound classes linked to specific drug targets. In
the third and final part of the analysis, the library is characterized
in terms of the molecular scaffolds represented by the set. Two
distinct scaffold sets are statistically compared with the scaffolds
from the vendor compounds from Simosa™.
Silicos NV is a Belgian service-based company providing services and
tools in the fields of chemoinformatics, chemogenomics and database
characterisation. Several other chemoinformatics tools have been
brought into the open source domain by Silicos, including SIEVE,
PHARAO, PIRAMID, and OBSPECTROPHORE, the latter being part of Open
Babel 2.3.
For more information about ProfiLIB, or any other tools or services,
please contact Silicos at i...@silicos.com.
Kind regards,
Hans De Winter
Silicos NV
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