Advanced algorithm, machine learning, and analysis of millions of chemical combinations to
predict chemical hazards

Cheminformatics is a computational toxicology Quantitative Structure Activity Relationship (QSAR) software that quickly and accurately assesses the hazards of chemicals in lieu of animal testing. Leveraging a curated database of 70 million structures and 300,000 labeled hazard endpoints, this innovative software utilizes an advanced algorithm, machine learning, and analysis of millions of chemical combinations to predict chemical hazards with the same degree of accuracy as animal tests.


Green Chemistry Module

The mounting regulatory and consumer demands for chemicals and products that perform well but at the same time are safer for human health and the environment is challenging chemical manufacturers to develop new chemicals and formulations that satisfy both conditions.

The most proactive approach is to design chemistries with inherently less hazards upfront in the development process. But how do we quickly assess the hazards at this early stage absent test data, especially when at the same time, there are increasing regulatory and public drivers to reduce animal testing? The Cheminformatics Green Chemistry module enables manufacturers and formulators to proactively assess these chemicals before they are in use and supports green chemistry initiatives.

Inland Waterways

R-SDS Module

Understanding and communicating the hazards of chemicals being shipped and offered for use is a critical compliance requirement. However, for new research chemicals with no or very little data, and even for existing chemicals in use with hazard data gaps, it is challenging to obtain such information without conducting animal tests.

The Cheminformatics R-SDS module will enable manufacturers and formulators to efficiently and accurately assess the hazards of chemicals and create robust SDS, labels, and relevant transportation, hygiene, and laboratory safety information.

REACH Registration

Chemical Registration / REACHAcross Module

This digital assistant for chemical registration requirements offers the objective computational approach of a QSAR combined with the necessary substantiation for submission to government agencies.

This alternative delivers accurate information you need for compliance faster and more cost effectively than animal testing, consulting and other alternative methods.

How can we help you?

Contact us to learn more about Cheminformatics.