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CzeekS Information


CzeekS is a computational molecule screening software. It utilizes a machine-learning method known as a Support Vector Machine (SVM) which has been shown to have efficient pattern recognition ability. Using existing assay data sets, CzeekS generates prediction models for compound-protein interactions. Based on the Chemical Genomics-based Virtual Screening (CGBVS) method, CzeekS offers fast and high-precision in-silico screening for drug candidate compounds.

CzeekS is actively developed by Kyoto Constella Technologies Co., Ltd. CzeekS employs approximately 1,000 molecular descriptors calculated by DRAGON (Talete srl) for compound data. Scripts for integrating DRAGON into CzeekS ensure easy operation for users.


Reference

  • Analysis of multiple compound-protein interactions reveals novel bioactive molecules. Mol. Syst. Biol. 7, 472, 2011 doi:10.1038/msb.2011.5
  • Systems biology and systems chemistry: new directions for drug discovery. Chem. Biol. 19(1), 23-8, 2012 doi:10.1016/j.chembiol.2011.12.012
  • Unifying Bioinformatics and Chemoinformatics for Drug Design. Systems and Computational Biology – Bioinformatics and Computational Modeling, 99-120, 2011 doi:10.5772/20233



System requirements

  • CPU: Multi-core CPU (Intel, AMD)
  • RAM: 16 GB
  • DISK: 100GB disk space
  • OS: Linux (CentOS, Fedora Core, etc.)
  • Library/Tools: Openbabel 2.3.1


Contact

  • Affinity Science Corporation.
  • info_at_affinity-science.com ( replace _at_ with @ )


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