Welcome to Silicos-it!

Silicos-it has extensive chemoinformatics expertise to help you solve various questions in these domains:

   ✓  hit identification  [ docking and pharmacophore modeling ]
   ✓  high-throughput screening  [ outlier detection and post-data analysis ]
   ✓  compound libraries  [ characterisation, clustering, selection and acquisition ]
   ✓  chemistry-aware custom-made IT-applications  [ development and integration ]

Open source and sharing

Jurgen Joossens, UA, Belgium

“In a collaborative project dedicated to irreversible enzyme inhibition, the people from Silicos-it have been providing us with innovative ideas and creative out-of-the-box solutions”

Silicos-it contributes its expertise to the chemoinformatics community by porting its source code into the open source domain. Famous examples include our spectrophore descriptors, the filtering program Filter-it™ and the pharmacophore tool Align-it™. Information and downloads of all our open source programs are found in the software section.

This site has been developed to share information on open source chemoinformatics and how it can help you in your daily work. Our cookbook groups together hints for working with molecular toolkits, shares known problems and gives insight in our learning experiences. The molspace section gives you some background on our large collection of vendor compounds that we maintain to support our clients with a variety of chemoinformatics solutions. And finally, our links page gives you access to other sites in the chemoinformatics arena that we find interesting enough for sharing.

Customers and partners

Over many years, Silicos-it has build up a very diverse and interesting customer base, including:

   ✓  pharmaceuticals  [ to identify novel inhibitors against challenging biological targets ]
   ✓  biotechnology companies  [ to find leads using docking and pharmacophore approaches ]
   ✓  startups  [ in need of molecular modeling support for their lead optimization efforts ]
   ✓  universities  [ to setup internal compound database and storage systems ]

In order to bring to our customers an even wider range of IT-support, we have also setup extensive partnerships with Altran and Emweb. We hope that this website encourages you to contact us to discuss potential collaborative work.

Free software foundation


MolSpace™ statistics

Latest update:Aug 25, 2012
Total compounds:66,052,234
Unique compounds:35,372,883
Unique desalted:35,269,490

Download statistics

Already more than 6,080 downloads and still counting:

> Filter-it:1,078 hist
> Strip-it:1,189 hist
> Align-it:1,478 hist
> Shape-it:1,086 hist
> Biscu-it:703 hist
> Som-it:541 hist

Current projects

  • Optimisation of novel PPI's
  • Design of anti-viral compounds
  • Novel fragment-based descriptors

Our partners

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