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Compound Discovery AI


Chemicals Informatics

The unique technology, developed by
Hitachi High-Tech Solutions, will search
unknown compounds and create new value
unbounded by existing products.

The time and cost needed to develop a single product is enormous

In the chemical industry, increasing globalization, intensifying competition in development, and accelerating evolution in technology are forcing companies to immediately launch high value-added and differentiated products, and to get a large share of the market in the field.

"Chemicals Informatics" supports the knowledge and intuition of chemical researchers to create a new value beyond existing products, leading to solutions to the challenges facing the chemical industry.

Supporting R&D efficiency by taking a "Materials Informatics" approach to the field of materials development

Chemicals Informatics, developed by Hitachi High-Tech Solutions, uses a unique AI program in the field of "Materials Informatics," which has been attracting attention in recent years, to find new promising compound candidates from among the countless compounds that exist on the earth.

The development of new products, which have been searched and researched for an enormous amount of time, has changed dramatically with the use of Chemicals Informatics

When specifying a known compound, property, or a custom-designed compound, the system will find the compounds most likely to have the targeted properties and present their property predictions. By presenting related information such as patents and papers simultaneously, it contributes to the efficiency of the R&D process.

Probability of Finding a Useful Compound

*1Values referenced in "Materials Development by Materials Informatics" (November 2019) published by Sumitomo Mitsui Banking Corporation.

*2The number of compounds presented by Chemicals Informatics depends largely on the search conditions specified.
We are not responsible for any activities and results based on the information presented by Chemicals Informatics.
The use of this information is entirely at the judgment of the customer.

The uniqueness of Chemicals Informatics

  • 01 Originally developed unique search method

    By finding promising spaces among multiple compounds, a compound with the targeted properties can be discovered from previously unanticipated spaces.

  • 02 Originally developed NLP technology

    This technology enables the accumulation of more than 100 million data from the compound database. The technology greatly expands the range of search.

  • 03 Using public data

    There is no need for customers to prepare their own data since the public database is used. You can use the system right after using this tool.

  • Contact Us

    Please feel free to contact us with any concerns or questions prior to introducing the system.

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