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- title: README
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- 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.
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- 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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+ # De Novo Chem
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+ **[denovochem.com](https://denovochem.com)**
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+ De Novo Chem LLC is a small business based in Glendale, Arizona. We build SaguaroChem, an affordable synthesis literature search tool for researchers who don't have institutional access to enterprise databases like Reaxys or SciFinder.
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+ ## SaguaroChem
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+ SaguaroChem is our flagship product — a web-based chemical reaction and structure search database covering peer-reviewed literature and patents. Search by substructure, similarity, or exact match, or query by reaction and bibliographic metadata. Results include full experimental context: stepwise procedures, conditions, yields, and source passages.
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+ → **[Try SaguaroChem](https://denovochem.com/saguarochem)**
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+ ## Open-Source Tools
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+ We also maintain a couple of open-source cheminformatics libraries. These aren't products — they're tools we built for our own work that we thought others might find useful.
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+ - **[ChollaChem](https://github.com/denovochem/cholla_chem)** — Python library for converting chemical names to SMILES. Integrates multiple resolvers, corrects OCR artifacts and typos, and handles edge cases like inorganic shorthand and peptide notation.
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+ - **[AgaveChem](https://github.com/denovochem/agave_chem)** — Python library for atom-to-atom mapping of chemical reactions. Combines a neural mapper (fine-tuned ALBERT trained on ~1M USPTO reactions) with deterministic MCS and template-based methods in a composable pipeline.
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+ - **[rdchiral_plus](https://github.com/denovochem/rdchiral_plus)** — A fork of the popular [rdchiral](https://github.com/connorcoley/rdchiral) library, which is used to generate accurate stereochemical outcomes for rdkit reactions. rdchiral-plus shows improvements in both the speed and correctness compared to the base library.
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+ ## Contact
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+ - Website: [denovochem.com](https://denovochem.com)
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+ - Email: contact@denovochem.com