Machine-learning prediction of enantioselectivity of C-H bond activation reactions is the focus of this infographic, on an exciting new paper by Hoque and Sunoj:
Find out more in the full article below!
Machine-learning prediction of enantioselectivity of C-H bond activation reactions is the focus of this infographic, on an exciting new paper by Hoque and Sunoj:
Find out more in the full article below!
Our newest research infographic shares research by Junkers et al., demonstrating the use of automation to reduce operator-to-operator inconsistencies in high-throughput RAFT screening while improving efficiency.
Read the full open access article here:
Digital Discovery, 2022, 1, 519–526, DOI: 10.1039/D2DD00035K
Nanomaterial research often involves characterising structures through microscopy which could be accelerated by automation. This new infographic describes a new workflow by Jayaraman et al. for analysing nanowire morphologies.
Read the full open access article here:
Shizhao Lu, Brian Montz, Todd Emrick and Arthi Jayaraman, Digital Discovery, 2022, 1, 816–833, DOI: 10.1039/D2DD00066K
We’re pleased to share a new research infographic describing Plot2Spectra, a tool for digitising published spectroscopy data, by Jiang, Chan et al. in issue 5:
Read the full open access article here:
Plot2Spectra: an automatic spectra extraction tool
Weixin Jiang, Kai Li, Trevor Spreadbury, Eric Schwenker, Oliver Cossairt and Maria K. Y. Chan, Digital Discovery, 2022, 1, 719–731. DOI: 10.1039/D1DD00036E
Our newest research infographic shares work by Brown et al. from Digital Discovery issue 5, on a crystallisation classification system and its corresponding database:
Read the full open-access article here:
Digital Discovery issue 4 features work by Daniel Olds, et al. on machine learning approaches designed for non-ML-expert light source users. Find out more in the infographic below:
Read the full open-access article here:
“Machine learning enabling high-throughput and remote operations at large-scale user facilities”
Digital Discovery issue 3 features work by Teresa Head-Gordon, et al. on NewtonNet, summarised in this new infographic!
Read the full article here:
Digital Discovery issue 3 features work by Ryo Tamura, Koji Tsuda, et al. on SLEPA, summarised in this new infographic!
Read the full article here:
“Self-learning entropic population annealing for interpretable materials design”
Jiawen Li, Jinzhe Zhang, Ryo Tamura and Koji Tsuda, Digital Discovery, 2022, 1, 295–302, DOI: 10.1039/D1DD00043H
Digital Discovery is pleased to support the Ultra-large Chemical Libraries meeting organised by RSC CICAG, to be held on the 10th of August 2022 at our headquarters in Burlington House, London, UK. If you’d like to submit a poster, please note that the abstract deadline is the 2nd of June!
Find out more about this event, and how to register, on its events page, and find the speaker list at its web site.
We’re excited to share this new infographic about RegioML, work that was published in Digital Discovery issue 2. Read the entire open-access article at:
“Consideration of predicted small-molecule metabolites in computational toxicology”
Nicolai Ree, Andreas H. Göller and Jan H. Jensen, Digital Discovery, 2022, 1, 108–114, DOI:10.1039/D1DD00032B