🔬 Exploring Edinburgh Through a Scientific Lens 🧪
#UKQSAR & #Cheminformatics meeting in Edinburgh: experience the city in a slightly different way?
📍 Take it at your own pace
🌍 A great way to connect science with history
👉 Access the tour here: doi.org/10.5281/zeno...
🧪 How we represent chemistry shapes discovery.
SMILES → GNNs → foundation models.
📍 RSC CICAG Chemical Structure Representations Meeting 2026
📅 8 April | London
🔗 registrations.hg3conferences.co.uk/hg3/frontend...
Many thanks! Alexander wept, for there were no more worlds to conquer.
Delighted to be joining #Optibrium as their new Director of Science! optibrium.com/about/news/n...
#ArtificialIntelligence #MachineLearning #AI #ML #DrugDiscovery
Three cats sleeping with a view from the balcony at sunset
Building this while the kids sleep
Christmas tree is up! 🎄
New fireside chat with AWS on how drug discovery is shifting from trial-and-error labs to computation, algorithms, and AI-driven molecular design.
I touch on why chemistry-as-data matters, why data access is now the biggest bottleneck, and how pharma is adapting.
youtu.be/18ZcYxOQtaE
Yes and an hdf with lots of games
Travelling to Frankfurt to present at Certainty Discovery 2025 tomorrow morning: chemaxon.com/certainty-di...
Looking forward to meeting old friends and making new ones. I’ll be presenting on human centric design for drug discovery platforms. I’ll she my slides later.
Travelling to Frankfurt to present at Certainty Discovery 2025 tomorrow morning: chemaxon.com/certainty-di...
Looking forward to meeting old friends and making new ones. I’ll be presenting on human centric design for drug discovery platforms. I’ll she my slides later.
At the @rsc.org today in London giving the keynote at the @alcesflight.bsky.social conference on Sustainable Reality and found two of my books in the library
Back at Churchill College in Cambridge for the 8th Artificial Intelligence in Chemistry. I’m chairing again this year. #AI #ArtificialIntelligence #ML #MachineLearning @rsc-cicag.bsky.social @rscbmcs.bsky.social @rsc.org
Back at Churchill College in Cambridge for the 8th Artificial Intelligence in Chemistry. I’m chairing again this year. #AI #ArtificialIntelligence #ML #MachineLearning @rsc-cicag.bsky.social @rscbmcs.bsky.social @rsc.org
Yes, someone shared it with me the other day - another CP denizen. Looks really cool.
Our youngest turned ten years old today, so we had to celebrate in Danish style. Happy Birthday, Sophie!
#GenAI has arrived… In the @nytimes.com mini crossword at least… #AI #ArtificialIntelligence #ML #MachineLearning #ChatGPT #Midjourney
We’ve just arrived in Málaga for holiday. Does anyone have any recommendations for things to do and places for food and drink? #Málaga #Malaga
🚀 Join us for the 8th AI in Chemistry event!
📅 22–24 Sept 2025 | Churchill College, Cambridge + virtual
🎤 15 speakers | 🧪 47 posters | 👥 100+ delegates
✨ Space still open for exhibitors & attendees!
💡 Pre-meeting workshop with Pat Walters & Andrea Volkamer!
👉 lnkd.in/d89JiRQt
#AIChem25
🚀 Healx is launching a new blog series on practical, open-source workflows for drug discovery! First up: a KNIME + ChEMBL pipeline to explore compound-target interactions. Big thanks to #RDKit, ChEMBL, UniChem & KNIME! 🧪 Read more: medium.com/low-code-for...
I cooked a lovely meal for our friends on Saturday evening. A Quo Vadis inspired smoked trout sandwich and a seafood paella
Here’s the lasagne
The other half is eyeing it up, but it’s still not ready
My favourite thing to do to be mindful and calm when I’m stressed is to make a slow cooked ragù. This is for a lasagne tomorrow with friends.
Spring UK-QSAR meeting: Registration is now open! Find out more here
ukqsar.org/index.php/20...
📆 Tuesday 15th April 2025
📍Francis Crick Institute, London
#ukqsar #compchem #cheminformatics #chemoinformatics
“Wherever men and women are persecuted because of their race, religion, or political views, that place must - at that moment - become the center of the universe.”
Elie Wiesel, The Night Trilogy: Night, Dawn, The Accident
“We must take sides. Neutrality helps the oppressor, never the victim. Silence encourages the tormentor, never the tormented. Sometimes we must interfere. When human lives are endangered, when human dignity is in jeopardy, national borders and sensitivities become irrelevant.
Some of the New Year fireworks from our balcony
The new issue of @RSC_CICAG Distillate has been published. It’s full
Of useful information and updates:
www.rsccicag.org/index_htm_fi...
#cheminformatics #chemoinformatics #compchem #medchem
