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 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.
OUR PARTNERS
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 UsWHO 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.
Machine Learning & Generative Design Tools
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A platform for the generative design of molecules to create new intellectual property
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A suite of tools to curate structure activity data, then build and validate machine learning models
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Thousands of machine learning models to help prioritize new uses and off target effects of molecules
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A suite of ADME and toxicology machine learning models with optional read across module
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Human uptake and efflux transporter machine learning models
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Molecule preparation, autocuration and data visualization tools
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Acetylcholinesterase machine learning models for multiple species
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A comprehensive database of macrolactones and associated biological data
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Prediction of the UV-VIS spectra for a molecule from structure alone
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A robust chemical inventory tracking software with fine-grained location tracking, advanced querying options, and cross-platform support.
SEE DETAILSFEATURED PUBLICATION
Repurposing Clinical Candidates for Nipah and Hendra Viruses
Thomas R. Lane, Olivier Escaffre, Lihong Zhang, Jennifer K. Smith, Terry L. Juelich, Alexander N. Freiberg, Sean Ekins. 2026 Apr; DOI: 10.1021/acsinfecdis.6c00206
Nipah virus (NiV) and Hendra virus (HeV) are bat-borne zoonotic paramyxoviruses that cause severe and often fatal respiratory and neurological disease in humans, for which no small-molecule therapies are currently approved. While host-protease-mediated viral entry has been implicated previously in henipavirus infection, the translational feasibility of targeting this pathway with clinically relevant compounds remains poorly defined. Here, we report a systematic evaluation of repurposed clinical-stage molecules using an integrated computational, in vitro, and in vivo framework to prioritize candidates with potential activity against NiV and HeV. [...]
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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.