Imagine you want to design new drugs selective for a target or investigate new polymers with ideal physical properties. We have the capabilities to do this using our MegaSyn software.
MegaSyn's Target Optimization Training consists of an outer loop and an inner loop based on scores from models (these could be based on physical properties or any endpoint of interest).
In the outer loop, a scoring threshold for each model is steadily incremented from zero to a goal score set by the user. In the inner loop, MegaSyn generates a sample of molecules which are scored, and scores are penalized if they fall below the threshold set by the outer loop; MegaSyn is then trained on its own top-scoring molecules.
The inner loop continues until it maximizes the fraction of generated molecules with above-threshold scores for all targets. Find out more here.
Innovators in Machine Learning and ADME/Tox!
Understanding ADME/Tox in parallel with efficacy as early as possible is critical to avoid late stage failure in Pharma, similarly toxicity prediction is also applicable across different industries such as consumer products and agrochemicals, etc. Having worked on these issues for decades we can provide valuable insights to your company that will likely not be matched elsewhere.
Check out our publications
NO DISEASE IS TOO SMALL®
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 be used by pharmaceutical, consumer product companies and those interested in sustainable chemistry.
We bring our Intelligence to AI. Assay Central® is one of our machine learning platforms used to create and build our drug pipeline. MegaTox®, MegaTrans® and MegaPredict® are core collections of machine learning models that can be used to predict molecular properties and bioactivities that could help in your projects. MegaSyn is our latest tool used by us for de novo design of molecules. UV-adVISor is a new machine learning approach to predict UV-VIS spectra for molecules. This is just a brief summary of some of the software products we have generated.
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.
Our Mission
We use real drug discovery intelligence alongside artificial intelligence to develop clinical candidates for rare, neglected and unmet therapeutic needs.
>150
Peer reviewed publications
9
FDA Orphan drug designations
3
FDA Rare Pediatric Disease Designations
1
Patent issued
12
Patents pending
7
Trademarks awarded
What Differentiates Us from Other Companies?
We are not VC or Angel funded so we do not have others telling us what to work on.
We have always worked on rare and neglected diseases because we feel it is the right thing to do.
We have decades of drug discovery and machine learning expertise, to us its not a new thing
We have developed software that has significantly cut the time required for data curation from databases so we can rapidly develop machine learning models.
We have curated and built thousands of machine learning models which we can rapidly apply to clients’ projects.
We have developed collections of models for application to pharmaceutical and consumer product company needs.
We do fee-for-service contract work using our machine learning tools, We do the work; you keep the results.
We can bring our expertise to your enterprise to save costs and increase operational efficiency.
We have built a suite of machine learning and generative design tools so you don’t have to!
A platform for generative design of molecules to create new intellectual property
A suite of ADME and toxicology machine learning models with optional read across module
A suite to curate structure activity data, then build and validate machine learning models
Human uptake and efflux transporter machine learning models
Thousands of machine learning models to help prioritize new uses and off target effects of molecules
Molecule preparation, autocuration and data visualization tools
Acetylcholinesterase machine learning models for multiple species
A comprehensive database of macrolactones and associated biological data
Prediction of the UV-VIS spectra for a molecule from structure alone
We are scientists who focus on doing science
Collaborations Pharmaceuticals, Inc., “No Disease Is Too Small,” Assay Central, MegaTox, MegaPredict and MegaTrans are all registered trademarks of Collaborations Pharmaceuticals, Inc.