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OUR MISSION

Transforming Chemistry,
Enriching Lives

We use real drug discovery intelligence alongside artificial intelligence to develop clinical candidates for rare, neglected and unmet therapeutic needs.

Our pipeline reflects years of dedicated research, innovative breakthroughs, and a commitment to bringing life-changing treatments to those who need them most.

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OUR FOCUS

Advancing Care For Rare Diseases

Every patient’s journey matters, especially in the fight against rare diseases like Batten disease. Advancing care begins with understanding—gathering data, sharing insights, and building a community dedicated to making a difference. Our work focuses on accelerating progress through collaboration and innovation.

The CLN2 Registry is at the heart of this mission, empowering families, researchers, and clinicians to unite for a common purpose: improving outcomes and driving forward the development of effective therapies. Together, we can turn hope into action.

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OUR TOOLS

Innovative Solutions To Complex Challenges

Whether you’re looking to predict toxicity, visualize molecular data, or build machine learning models, our tools are designed to meet your unique needs.

Not sure which tool is right for you?
Take our short assessment to find the perfect solution for your professional goals.

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OUR PARTNER

Drive Success Through Collaboration

Breakthroughs happen when expertise meets opportunity. At the core of our success lies a commitment to collaboration, partnering with innovators, organizations, and researchers who share our vision for advancing science and transforming lives.

Whether through licensing agreements, strategic partnerships, or tailored contracting solutions, we build relationships that deliver meaningful impact.

Partner With Us

WHO WE ARE

Innovators in Machine Learning and ADME/Tox

Collaborations Pharmaceuticals, Inc.® is a privately owned company that performs research and development on innovative therapeutics for multiple rare and neglected infectious diseases. We develop and apply our artificial intelligence (AI) software to aid in drug discovery and toxicology assessment as well as to identify and translate early preclinical to clinical stage assets. Our software can also be used to design new molecules with desired properties. This software can be used by pharmaceutical, consumer product, as well as other companies that require chemistry.

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WHAT WE DO

No Disease Is Too Small

We apply our machine learning and drug discovery expertise to a wide array of projects both internally and with collaborators. Our toxicology models and read across software could assist your companies sustainable chemistry goals and help you in regulatory filings. We have developed new approaches which can be used to rapidly predict molecular properties for massive DNA-encoded libraries or predict properties for PROTACS. In the process of our work we have raised awareness of the potential for dual use of these AI technologies and therefore have expertise for such evaluations which has caught the attention of government agencies.

Machine Learning & Generative Design Tools

SEE ALL TOOLS
MegaSyn logo

A platform for the generative design of molecules to create new intellectual property

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Assay Central logo

A suite of tools to curate structure activity data, then build and validate machine learning models

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MegaPredict logo

Thousands of machine learning models to help prioritize new uses and off target effects of molecules

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MegaTox logo

A suite of ADME and toxicology machine learning models with optional read across module

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MegaTrans logo

Human uptake and efflux transporter machine learning models

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eClean logo

Molecule preparation, autocuration and data visualization tools

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MegaAChE logo

Acetylcholinesterase machine learning models for multiple species

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Macrolactonedb logo

A comprehensive database of macrolactones and associated biological data

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UV adVISor logo

Prediction of the UV-VIS spectra for a molecule from structure alone

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MegaInventory logo

A robust chemical inventory tracking software with fine-grained location tracking, advanced querying options, and cross-platform support.

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HOW WE’RE DIFFERENT

Scientists Focused On Doing Science

Collaborations Pharmaceuticals, Inc.® is a privately owned company that performs research and development. We can apply our artificial intelligence (AI) software to aid your company in solving challenges you may encounter. Our software can be used by pharmaceutical, agrochemical, consumer product companies and anyone interested in chemistry.

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