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Mol-Instincts Database: New Tech Partner

Mol-Instincts

We are very glad to announce that ChemEssen is now a tech partner of S-IN Soluzioni Informatiche.
ChemEssen has developed Mol-Instincts, the first chemical database with more than 2.8 million chemical compounds, and a high level of accuracy.

Mol-Instincts combines quantum mechanics, statistical thermodynamics, QSPR, SVRC, ANN methods, and uses a proprietary over-fitting prevention algorithm.

It includes a wide range of data that covers many categories:

  • Drug Related Properties: new drug discovery, drug possibility provision
  • Molecular Descriptors: QSPR, QSAR modelling
  • Thermo-PhysicoChemical Properties: reaction engineering, chemical process design, simulation, optimization, energy efficiency improvement for combustion processes, chemical safety and regulation
  • Spectra Data: application study with IR, NMR, VCD
  • Quantum Data: optimized 3D molecular structure, energy level comparison among other molecules, speed up molecular optimization by starting from the Mol-Instincts 3D structure
  • Analysis Data: obtaining optimized molecular structure, vibrational frequency analysis & animation, molecular orbitals.

You can find more features at https://search.molinstincts.com/search/searchTextForm.ce

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