We've been working on these types of chemical search optimizations problems across a variety of industries, and I'd like to echo this comment. Despite the fact

We've been working on these types of chemical search optimizations problems across a variety of industries, and I'd like to echo this comment. Despite the fact that most of the space is unexplored, the act of exploring it for the sake of exploring it is often unwise. A vast, vast majority of the time a naive or even statistically driven search will fail if the goal is to find something "new." The reality is that the path to a truly new innovative chemical is hard to anticipate and even harder to optimize for plus the curse of dimensionality means that our intuition for how hard that search really is is hopelessly misguided. If you're interested in related problems, my company, Uncountable, is looking for software engineers. https://www.uncountable.com/careers https://www.uncountable.com/careers. We emphasize that the most important thing for organizations to do today is structure their data. It's the best chance to take specialized internal knowledge and put it to use to find new chemicals.