Dear friends and colleagues! We would like to invite you to join Chemspace Webinar 'Making virtual REAL: a 2020 q1-2 update', on July, 30. Register now at https://attendee.gotowebinar.com/register/3644965017234954510.
Chemical space is to be estimated containing 1063 theoretically possible virtual molecules. But we operate in a small subspace counting billions of billions of molecules. It is still a huge set compare to what is available off the shelf that allows to deliver novel hits for many research projects. We explore this subspace with different tools involving modeling or machine learning (ML) approaches. Virtual screening of the billions results in a set of molecules for wet screening in the lab. So, someone needs to make these molecules. But chemistry might be a bottleneck if your molecules are from non-validated chemical space.
During the talk, an approach to build a validated chemical space will be discussed. This REAL space (REAL = readily accessible) currently contains billions of molecules assembled from 114,000 qualified regents and building blocks via 190 validated synthetic procedures. The REAL space is continuously growing by adding new reagents and. Options available to access the REAL molecules as well as their usage[1–5] will be discussed.