🔬 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...

Delighted to be joining #Optibrium as their new Director of Science! optibrium.com/about/news/n... #ArtificialIntelligence #MachineLearning #AI #ML #DrugDiscovery

Nathan Brown appointed as Director of Science

Nathan’s appointment will support Optibrium in delivering scientifically rigorous software that addresses real-world challenges in molecular discovery.

optibrium.com

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

Your next medicine will be designed by code, driven by AI.

YouTube video by HPC Tech Shorts

youtu.be

Finally found time to install an #Amiga emulator on my iPad

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.

Certainty Discovery 2025

Join us for the latest Certainty customer summit: Certainty Discovery. This two-day event showcases the combined expertise of Certara, Chemaxon, and their global community of customers, empowering sci...

chemaxon.com

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.

Certainty Discovery 2025

Join us for the latest Certainty customer summit: Certainty Discovery. This two-day event showcases the combined expertise of Certara, Chemaxon, and their global community of customers, empowering sci...

chemaxon.com

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

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...

Unveiling Biological Targets with KNIME

A Hands-On Workflow Powered by ChEMBL Data

medium.com

I cooked a lovely meal for our friends on Saturday evening. A Quo Vadis inspired smoked trout sandwich and a seafood paella

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

“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

Beautiful sunset over the city last night #Aarhus #Århus #Denmark

First post on #bluesky: 4,691 irradiated #haggis