Chemical Compounds

Mol-Instincts Web-Information Project

Over 100 Million Chemical Structures

While the structure information of chemical compounds is critical for research and development, it is frequently difficult to find it on the web. For our Mol-Instincts customers, we have developed an automatic process to generate the structures of chemical compounds available on the web. The structure can instantly be found by Google search as long as Google indexes them.

The total number of chemical compounds processed so far is over 100 millions. We will continuously update the additional structure information of rare chemical compounds.

How to Find Chemical Structure using Google Search

Finding the structure information by Googling is fairly simple. Just type your input text and add ‘Mol-Instincts’ in the Google search screen.

For instance, if you wish to find the structure of cholesterol, simply type in,
google search capture image
You can use other text instead of the chemical name (cholesterol) such as CAS number or InChI key, or any other information you may have.

What’s Available

In addition to the structure information, basic molecular information such as formula, molecular weight, and chemical identifier, e.g., IUPAC name, SMILES String, InChI, etc., as well as 2-dimensional and 3-dimensional images are provided.

An interactive 3-dimensional visualization of the structure is also available, which can provide a better understanding of the structure for a complicated chemical compound by rotating and/or zooming the structure image. Various options including visualization of van der Waals and exporting to a image file are available as well.

Click the following link to visit an example page:

Example Page

Cholesterol Structure - C27H46O | Mol-Instincts

Mol-Instincts Web-Information Project

The structure generation engine was developed as a part of Mol-Instincts platform to process dozens of millions of chemical compounds at a time on an automatic basis, which is executed on a parallel computational platform equipped with thousands of CPU cores.

The engine is now applied to generate the structure information available on the web, targeting billions of chemical structures to be generated in a few years.