Silicos NV releases Sieve v3 under GNU GPL version 2

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Silicos NV releases Sieve v3 under GNU GPL version 2

Hans De Winter
Silicos is pleased to announce the release of version 3 of its molecular filtering software Sieve. Sieve is a program for filtering out molecules with unwanted properties. It is based on the Open Babel open source C++ API (version 2.3) for rapid calculation of molecular properties. The program comes with a number of pre-programmed molecular properties that can be used for filtering. These properties include, amongst others:
  • Physicochemical parameters, such as logP, topological polar surface area criteria, number of hydrogen bond acceptors and donors, and Lipinski's rule-of-five;
  • Graph-based properties, including ring-based parameters and rotatable bond criteria;
  • Selection criteria by means of smarts patterns;
  • Similarity criteria;
  • Three-dimensional distances between user-definable fragments;
  • Criteria based on molecular titles and/or SDF-tags
Sieve is a command line-driven program that is instructed by means of command line options and a user-definable filter file. The source code is released under the terms of the GNU General Public License as published the Free Software Foundation version 2 of the License. It can be downloaded from www.silicos.com or openbabel.org/wiki/Related_Projects

Silicos is a fee-for-service company empowering open source chemo-informatics virtual screening technologies for the discovery of novel lead compounds and database characterization. Silicos fully endorses the concept of open innovation and open source software development, and provides its clients with a wide variety of computational chemistry-based lead discovery services, including Open Babel support, training and code development. Please visit www.silicos.com for more details.

Kind regards,
Hans De Winter
Silicos NV

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