Seeing the power of AI in drug development

Today we announced our collaboration with Santen, a world leader in the development of innovative ophthalmology treatments. Scientists at twoXAR will use our proprietary computational drug discovery platform to discover, screen and prioritize novel drug candidates with potential application in glaucoma. Santen will then develop and commercialize drug candidates arising from the collaboration. This collaboration is an exciting example of how artificial intelligence-driven approaches can move beyond supporting existing hypotheses and lead the discovery of new drugs. Combining twoXAR’s unique capabilities with Santen’s experience in ophthalmic product development and commercialization… 


Let’s Augment, Not Automate

“Any sufficiently advanced technology is indistinguishable from magic.”

Science writer and futurist Arthur C. Clarke’s poignant “third law” only becomes more relevant as technological innovation accelerates and disciplines like computer science, data science and life science converge.

As we have been out in the field demonstrating the power of our technology platform to our collaborators, it has been interesting to hear their reactions when we tell them how it can
evaluate tens of thousands of drug candidates and identify their possible MOAs, evaluate chemical similarity, and screen for clinical evidence in minutes. These responses cover the gamut from, “Wow, this is going to revolutionize drug discovery!” to “this is magic, I don’t believe computers can do this…”

However, whether we are talking to the converted or the skeptical, as we get deeper into conversations about how our technology works, we come into agreement that using advanced data science techniques to analyze data about drug candidates is not magic. In fact, we’re doing what scientific researchers have always done – analyze data that arises from experiments. What’s different is that advances in statistical methods, our proprietary algorithms, and secure cloud computing enable us to do this orders of magnitude faster than by hand or with the naked eye.

The speed of our technology combined with the massive quantities of data that it processes, is simply enhancing the work that our collaborators have been doing in the lab for years. We believe that the most interesting and powerful new discoveries will arise at the intersection of open-minded life scientists combining their deep expertise with unbiased software.

Technologies like ours are meant to augment* the work of life scientists and help them accelerate drug discovery and fill clinical pipelines while leading society to a more robust and streamlined scientific process. Although DUMA might sound futuristic, today it is enabling therapeutic researchers to better leverage the value of their data and do it more rapidly than ever before.

Don’t believe the magic? Contact me and we’ll get a trial started to show you the science.


*Sidenote: I have been particularly interested in this interaction between humans and machines, which led me to a class at MIT called The [Technological] Singularity and Related Topics. One of those major topics was whether or not machines (including software) will replace aspects of society. One of my professors Erik Brynjolfsson, author of The Second Machine Age: stated that “We are racing with machines – let’s augment, not automate.”And we definitely share that view here at twoXAR.

Validating DUMA Independently

When independent scientific validation happens with new technologies it is an exciting time for both researcher and validator.

Some time ago we used our DUMA drug discovery platform to find new potential drug treatments for Parkinson’s disease. After processing over 25,000 drugs with our system, we identified a handful of promising candidates for further study. We noticed one of our highest ranked predictions was currently under study at an NIH Udall Center of Excellence in Parkinson’s Disease Research at Michigan State University.

We decided to be good citizens to the research community and provide our findings to the research team at Michigan State University. We prepared a 5-page PDF that summarized our computational prediction. When DUMA highly ranks a drug for efficacy it also provides the supporting evidence it used to make that prediction. This can include:

  • Calculated proteins of significant interest in the disease state,
  • How the drug interacts with those proteins or their binding neighbors,
  • Drugs with similar molecular substructures that have similar effects, and
  • Protective evidence found in clinical medical records.

We emailed our report to Dr. Tim Collier and figured that was the end of it. Much to our surprise we found ourselves on a phone call the next day with Tim and his colleague Dr. Katrina Paumier. Tim told us that we had independently validated work that had been going on for years.

As part of the review of the report, Tim and Katrina asked a number of questions on how we came up with the prediction we presented. We explained a bit about DUMA and how quickly it can be used to screen large databases of drugs and make predictions within a few minutes. They told us they had another promising drug under study and asked us to run it through DUMA. We returned the results on this new drug right away. It turned out this second candidate was highly predicted by DUMA to be effective in treating Parkinson’s disease. Once again our evidence matched their data, independently validating that they were on the right track with their second candidate.

Finally, Tim asked us to run one more drug through our system. He didn’t tell us much about this particular molecule, and we let DUMA process the data we collected on it. The prediction ranked this candidate relatively lower. We informed Tim that our system gave a low to moderate indication of efficacy, and supplied the evidence that DUMA had made to assign this ranking. This once again matched his own data about the compound.

Our work with Michigan State University continues today. We are working with Tim on providing new, novel compounds for further study. We have collaborated on combining the power of the DUMA drug discovery system with the expertise in Parkinson’s research labs.