CDD Awarded Phase 2 SBIR Grant on Mixtures Formats for Drug Discovery and Formulation

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CDD Awarded Phase 2 SBIR Grant on Mixtures Formats for Drug Discovery and Formulation

Burlingame, California — January 7, 2020 — Collaborative Drug Discovery (CDD), provider of CDD Vault web-based drug discovery informatics platform, announced they won a competitive, peer-reviewed Phase 2 SBIR grant 2R44TR002528-02 from NIH NCATS, titled: “Digital representation of chemical mixtures to aid drug discovery and formulation”.

Collaborative Drug Discovery, Inc. (CDD) proposes to develop a suite of software modules to enable scientists to unambiguously represent chemical mixtures in standard machine-readable formats, filling an urgent and widely-recognized need. Chemicals are typically formulated as mixtures. Recording and communicating information about chemical mixtures is essential for scientists and support staff in the pharmaceutical industry, in academia, in non-profit research organizations, in government, at specialty chemical vendors, and at commercial manufacturers to:

• discover, develop, formulate, manufacture and regulate drugs;
• manage reagent inventories; comply with laboratory safety requirements; inform first responders;
• describe and reproduce biomedical experiments; and
• assess and disseminate information about toxicity risks of chemical reagents and consumer products.

A project of the International Union of Pure and Applied Chemistry (IUPAC) is close to formalizing “Mixtures InChI” (or MInChI), which will extend the International Chemical Identifier (InChI) to become the first standard to encompass mixtures. MInChI will effectively index mixtures by using the capabilities of the InChI identifier, upon which it is based.

In Phase 1 CDD developed the data structures and software necessary to pilot utilization of MInChI and create the first general-purpose system for recording information about chemical mixtures that is computable and interoperable. In Phase 2 CDD will continue to develop a sophisticated automated translation tool that will accurately convert legacy catalogs of chemical mixtures from plaintext descriptions or ad hoc formats so that they are properly represented in a machine readable format that can in turn be easily rendered or turned into MInChI notation. The broad vision is to help industry to overcome the barriers to adoption so that machine readable mixture descriptions can quickly deliver benefits for drug discovery, chemical safety, and toxicology.


The Small Business Innovation Research (SBIR) is part of a program to enable sharing of biological data. Award Number #2R44TR002528-02 from National Center for Advancing Translational Sciences as described on NIH Reporter supports this project. This content is solely the responsibility of the authors and does not necessarily represent the official views of the National Center for Advancing Translational Sciences or the National Institutes of Health.

About Collaborative Drug Discovery, Inc.

CDD’s ( flagship product, “CDD Vault®”, is used to manage chemical registration, structure-activity relationships (SAR), and securely scale collaborations. CDD Vault® is a hosted database solution for secure management and sharing of biological and chemical data. It lets you intuitively organize chemical structures and biological study data, and collaborate with internal or external partners through an easy to use web interface. Available modules within CDD Vault include Activity & Registration, Visualization, Inventory, and ELN.

A complete list of more than 60 publications and patents from CDD can be found online on our resources page at

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Media Contact: Barry Bunin, Ph.D., Collaborative Drug Discovery, [email protected]