Chemoinformatics

Interactive New Material Designing Platform in a Cloud

Even though computing power and information technology have been improved a lot recently, still human intuition plays critical roles in the field of materials design.  Intuition of chemist is too complicated to be programmed with simple algorithms. We made a interactive New Material Designing Platform to maximize the combination of human intuition and computing power. This platform can be accessed through cloud service from any place in the world. The platform integrated well the following in-house modules which are proven to be better than others.

Interactive Modeling Platform

  • Line Notation for Chemicals (yaChI)

  • Interactive Chemoinformatics Tools (iChemit)

  • Interactive QSAR methodology (iQSAR)

  • Chemical 3D Database (iC3DB)

  • 3D Structure Generation for Chemicals (3DG)