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@denovochem

De Novo Chem

AI/ML Applications for Chemistry

De Novo Chem LLC is a Glendale, AZ based small business that provides our partners with cheminformatics solutions to accelerate the discovery and development of new chemical compounds and novel synthetic routes. Our high-quality chemical reaction data enhances our partners’ abilities to identify synthesizable novel compounds and alternative synthetic pathways for known compounds in their chemical space of interest. The De Novo Chem suite of computer-aided synthesis planning tools may be quickly augmented with additional chemical reaction data, ensuring that we stay at the forefront of synthetic chemistry innovations. De Novo Chem also provides a range of development services, from generating custom chemical reaction datasets to developing AI and machine learning cheminformatics tools tailored to the specific needs of our partners.

We are looking for partners who share our vision to accelerate the discovery and development of new compounds and synthetic routes through the use of machine learning and artificial intelligence. If you are interested in learning more, please contact us on our website.

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  1. rdchiral_plus rdchiral_plus Public

    Forked from connorcoley/rdchiral

    Wrapper for RDKit's RunReactants to improve stereochemistry handling. Forked from rdchiral and modified for improved speed and more robust behavior.

    Python

  2. cholla_chem cholla_chem Public

    Performant, comprehensive, and customizable name-to-SMILES conversion

    Python

  3. agave_chem agave_chem Public

    Reaction classifying and atom mapping

    Python

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