Nextmol has participated in the Chemical Innovation Conference (CIEX) 2020 as exhibitor and panelist in the session “Analysing the potential of AI for R&D”.

CIEX is a conference for C-level R&D and Innovation experts from the consumer, industrial and specialty chemical sectors with the aim of accelerating innovation across the chemical value chain.

Nextmol’s Chief Scientific Officer Dr. Stephan Mohr has explained in the panel session his vision about Artificial Intelligence (AI) in R&D:

AI has a lot of potential to accelerate chemical innovation. But it should not be seen as an isolated technique. It can only unfold its full potential if adequately combined with molecular modeling and/or experiments.
We are applying AI to several projects in the Oil & Gas sector. The goal is to develop new additives to improve the performance and safety of upstream processes. We have already worked on the subject using molecular modelling, gaining valuable domain knowledge.

With AI we can obtain additional insights to accelerate R&D:

  • Unsupervised learning to prioritize further experimental and computational testing and ensure an adequate sampling of the chemical space
  • Supervised learning models to determine structure-activity relationships based on high-throughput experimental results.