Computers trump chemists by studying failed experiments

The algorithm’s success rate is higher than a human scientist, in part because it’s analysing data from failed experiments, otherwise known as “dark reactions.” Often, these sit in laboratory notebooks, accessible only to the scientist that conducted the original experiment. But the team from Haverford College has taken a different approach, digitizing thousands of successful and failed reactions to create a vast, publicly accessible repository. Associate Professor of Chemistry Joshua Schrier broke down the properties of each experiment, while fellow Associate Professor of Chemistry Alexander Norquist worked on the machine-learning algorithm. As Nature explains, the team has been focusing on crystalline reactions, produced by mixing and heating a set of reagents in a solvent. Specifically, this involved materials called vanadium selenites — compounds of vanadium, selenium and oxygen. While examining…


Link to Full Article: Computers trump chemists by studying failed experiments

Computers trump chemists by studying failed experiments

The algorithm’s success rate is higher than a human scientist, in part because it’s analysing data from failed experiments, otherwise known as “dark reactions.” Often, these sit in laboratory notebooks, accessible only to the scientist that conducted the original experiment. But the team from Haverford College has taken a different approach, digitizing thousands of successful and failed reactions to create a vast, publicly accessible repository. Associate Professor of Chemistry Joshua Schrier broke down the properties of each experiment, while fellow Associate Professor of Chemistry Alexander Norquist worked on the machine-learning algorithm. As Nature explains, the team has been focusing on crystalline reactions, produced by mixing and heating a set of reagents in a solvent. Specifically, this involved materials called vanadium selenites — compounds of vanadium, selenium and oxygen. While examining…


Link to Full Article: Computers trump chemists by studying failed experiments