Single molecule design with others is a hassle? Think again

webinar · 6 years ago


Wednesday, 11th November,
4 pm CET / 7 am PDT / 10 am EDT / 3 pm GMT / 8:30 pm IST


Iván Solt - Application Scientist, ChemAxon

Research and development becomes more and more decentralized in all chemistry related fields and so do meetings that are essential for sharing and developing ideas. In the case of single molecule design, people working in different locations can make the process slow and cumbersome: the exchange and tracking of ideas from their birth to production can fail in a thousand different ways. In this webinar we will present a small workflow starting with exploring available literature data on a target protein, then show how the corresponding chemical space can be expanded with Marvin Live.

We will demonstrate how this application keeps the idea on the right track with knowledge based approaches, such as searching in assay databases to find similar compounds with biological measurements and content databases with published facts on the structure. Finding the right molecules is then supported by exploring relevant physico-chemical properties, and 3D characteristics. As a final step, the consensus compounds will be stored and shared via Compound Registration.