Exploiting personalized information for reagent selection in drug design.
Drug discovery is currently being industrialized. This fact is confusing, given that it is happening in times when the rest of the world has entered the subsequent information age. Here, we introduce a concept and an infrastructure for the now popular and well-known recommender systems in the context of exploiting one of the cornerstones of drug design: chemical reagent selection. The goal is to create and transfer information openly to facilitate intuition and serendipity in drug design. The system is tailored to highlight reagents from our corporate reagent database; reagents that a chemist might not have considered based purely on their own experience.
Lead Generation Department, AstraZeneca R&D Mölndal, S-43183 Mölndal, Sweden. jonas.bostrom@astrazeneca.com
Jonas
J
Boström
Niklas
N
Falk
Christian
C
Tyrchan
D016208:Databases, Factual; D015195:Drug Design; D055808:Drug Discovery / Q000379:methods; D004345:Drug Industry / Q000379:methods*; D006801:Humans; D007202:Indicators and Reagents / Q000737:chemistry*
D007202:Indicators and Reagents