MOLINSTINCTS Product Summary

Mol-Instincts is…

A database providing thermo-physico-chemical & transport properties and fundamental molecular information of pure compounds.

Compounds Available:

More than 2.5 million compounds including:

  • Hydrocarbons, hetero-compounds (including atoms other than C and H), free radicals, and drug-like compounds
  • Compounds included in fuels such as gasoline, jet-fuel, diesel, and biodiesel
  • Compounds included in chemical processes such as thermal cracking, catalytic cracking, hydrocracking, desulfurization, isomerization,
    catalytic reforming, combustion, gas-to-liquid (GTL), coal-to-liquid (CTL), and methanol-to-olefin/gasoline (MTO/MTG)

Limitation: The maximum number of carbon atoms currently up to 57 (mostly to 25). Pure compounds with C, H, N, O, and S atoms only.

Property Data & Molecular Information Available:

More than 10 billion sets of data and information including:

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How Mol-Instincts Developed?

All the data and information were determined by…

The most advanced technology based on quantum chemistry, QSPR (Quantitative Structure–Property Relationships), and/or ANN (Artificial Neural Network) followed by 5+ years of professional verification with the corresponding experimental data available to date.

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How to access Mol-Instincts database…

Download and install Mol-Instincts Navigator software, which connects you to the Mol-Instincts database server online worldwide. Search all the compound list . Play with the 20 pre-determined demo compounds plus 10 compounds at your own choice (free). Then, choose a subscription plan fits for your purpose.


comprehensive accurate chemistry information and data

  • Constant Properties
  • T-dependent Properties
  • Spectroscopy
  • Compared to Other pproaches

Compared to Other pproaches

MOLINSTINCTS Accuracy Verification Compared to Other Well-Known Approaches
  • Patented chemical database

    There are so many approaches for estimating thermo-physico-chemical properties, i.e., approximately hundreds of commercial software and estimation methods published in the scientific journals. Some of them are widely used as the built-in modules of process simulation software.

    It is almost always the case that those methods are working well only within the limited sets of experimental data that the developers used. The data sets are usually within hundreds of compounds.

    When we tested those methods with much larger sets of experimental data, we faced totally different results. The estimation errors were so severe that we were unable to use the methods for our projects.

  • Click the items below to view the examples.

Our conclusion: The estimation technology development must be based on understanding the fundamentals of compounds.