UChicago Scientists Observe First Evidence of ‘Quantum Superchemistry’ https://thequantuminsider.com/?p=2357775 #Research #Chemistry #Cheng_Chin #quantum_superchemistry #reactions #UChicago #University_of_Chicago #quantumdaily Insider Brief University of Chicago report the first evidence for quantum superchemistry. Quantum superchemistry is a phenomenon where particles in the same quantum state undergo collective accelerated reactions. These reactions could impact quantum chemistry, quantum com

In case you've been wondering what a molecule looks like from the inside—at least a rendered one. ;-)

#Chemistry #3D #Molecule

Molecular Quantum Solutions Raises €600k in Pre-seed Round to Help Pharma and Chemical Companies Use Quantum https://thequantuminsider.com/?p=2356118 #Daily #Insights #chemical_industry #Chemistry #Joachim_Schelde #Mark_Nicholas_Jones #Michael_Bjørnlund #Molecular_Quantum_Solutions #MQS #pharma #pharmaceuticals #Rockstart #Rockstart_Emerging_Tech #Scale_Capital #quantumdaily Insider Brief Molecular Quantum Solutions received €600,000 in a pre-seed fundraise. The round was led by Scale Capital,

QC Ware Launches Platform For Pharmaceutical, Chemical and Materials Discovery https://thequantuminsider.com/?p=2354903 #Quantum_Computing_Business #Amazon_Web_Services #AWS #Chemistry #Matt_Johnson #NVIDIA #Pharmaceutical #Promethium #QCWare #quantumdaily Insider Brief QCWare launches software-as-a-service (SaaS) quantum chemistry platform designed to dramatically accelerate pharmaceutical, chemical, and materials discovery. The company has named the platform, Promethium. The technology has be

I've written about something that has been on my mind for the past couple of years.

"The Societal and Scientific Importance of Inclusivity, Diversity, and Equity in Machine Learning for Chemistry" | CHIMIA

https://chimia.ch/chimia/article/view/2023_56

#Science #Chemistry #MachineLearning

Nobody:
Me: What would an aspirin molecule look like if it had hair?

#Science? #Chemistry?

New preprint:
Explainable prediction of catalysing enzymes from reactions using multilayer perceptrons

- Explain reaction classification using DRFP, DeepSHAP
- Viz with SmilesDrawer
- Predict enzyme catalysts for any reaction

https://www.biorxiv.org/content/10.1101/2023.01.28.526009v1

#Bioinformatics
#Chemistry
#MachineLearning
#Science

Have a great weekend everyone and remember: H is not the element symbol for Helium.
#Chemistry

A thread:

How does gold get its distinct colour?

If we look at the periodic table, gold is surrounded by “silver”-looking metals that reflect about the same across the visible spectrum, yet gold mainly reflects in the yellow and red parts of the spectrum while blue and violet are absorbed.

#Science #Chemistry #Physics

(image by Bob Mellish)

65 years ago today, the first antidepressant, Imipramin, was discovered by Roland Kuhn.

However,Kuhn, a psychiatrist, conducted unethical and scientifically questionable research on patients without consent in a Swiss psychiatric hospital for decades.

#Science #Medicine #Chemistry

Today's not only the birthday of Jane Austen and Arthur C. Clarke, but also that of Johann W. Ritter, who, in 1801, discovered UV radiation. He initially named it deoxidizing rays, as it darkened silver chloride-soaked paper faster than violet light.
(Image: Anna Reinacher)

#Science #Physics #Chemistry

Today is not only the birthday of Miley Cyrus and Snooki, but also that of Boris Karloff (pictured below) and Johannes Diderik van der Waals.

You may know the latter's name from the van der Waals force, which is a very weak interaction between atoms. While weak, it is enough to make microfiber cloths work (the van der Waals force makes sure that the dirt sticks to the small fibers)

#Science #Chemistry

Here's my (currently) favourite figure I made. It's mainly about the colours but the science is also really neat.

I implemented a simple machine learning method based on an XOR (yes!) and a small MLP that outperforms DFT- and transformer-based methods when predicting reaction yields.

You can actually use it right now to predict the yield of Buchwald-Hartwig reactions: https://colab.research.google.com/drive/1VvzSBwCkMi7vi653hTlzZV1YRt_8mk5n?usp=sharing

or just read the paper ;-)
https://pubs.rsc.org/en/content/articlelanding/2022/dd/d1dd00006c

#Science #Chemistry #Work