Angelo Pugliese @angelo-rules.bsky.social · 03/09/2026At Churchill college for the #RSC #AIChem26 , beautiful as always 010
Angelo Pugliese @angelo-rules.bsky.social · 25/08/2026Next week I will be at the #RSC Artificial Intelligence in Chemistry Symposium in Cambridge UK, presenting our poster on the BioAscent In Silico Workbench and one of its applications: AI-assisted PROTAC linker design. If you are attending, would be nice to meet. #AIChem9 #AI #drugdiscovery #ml #uk 010
Angelo Pugliese @angelo-rules.bsky.social · 29/07/2026From de novo design to binding kinetics and SAR analytics, all in one place. Here’s a quick look at the 17 integrated CADD modules powering our In Silico Workbench across the DMTA cycle. Built on GPU-isolated servers for 100% internal IP protection. #Biotech #DrugDiscovery #AI #CADD #compchem #ML 010
Angelo Pugliese @angelo-rules.bsky.social · 28/05/2026I'm on YouTube, finally www.youtube.com/watch?v=_OkX... #ML #AI #drugdiscovery #compchem #biosciencesyoutube.comCode and Collaboration: Applying AI to overcome real-world challenges in the labYouTube video by BioAscent Discovery 010
Angelo Pugliese @angelo-rules.bsky.social · 13/11/2025I set up an #agentic #AI workflow inside #VSCode with two free tools. The "Body" is cline.bot a free, open-source agent for VSCode and the "Brain" is openrouter.ai like a universal remote for #LLMs. It gives you one #API key for hundred of models and many are free. Works well #ML #LLM #compchemcline.botCline - AI Coding, Open Source and UncompromisedCline is the open-source AI coding agent that gives you direct access to frontier models with complete transparency. Plan Mode, MCP integration, and zero vendor lock-in. Join 3.8M+ developers. 020
Angelo Pugliese @angelo-rules.bsky.social · 08/11/2025Just back from a working week in Boston, visiting clients and exploring the new frontiers in AI-led drug discovery. 000
Angelo Pugliese @angelo-rules.bsky.social · 27/09/2025Great week at the #AIChem25 meeting in Cambridge Our work on AI-driven design of GLP1 PAMs was very well received 020
Angelo Pugliese @angelo-rules.bsky.social · 15/09/2025I'm looking forward to presenting two posters at #AIChem25 AI-Driven Design of GLP-1R Positive Allosteric Modulators: A Synergy of Generative Models, Active Learning, and Molecular Dynamics AI-Driven Discovery of Novel NLRP3 Inhibitors Using Reinforcement Learning #compchem #drugdesign #ml #GLP1 010
Angelo Pugliese @angelo-rules.bsky.social · 26/04/2025To my network: does anybody have or can redirect me to a Design Of Experiment dataset for ML modelling? Preferably bio/assay data but I can work with anything. It's for a student we are hosting this summer. I checked Google datasets and Kaggle but not much there. 200
Angelo Pugliese @angelo-rules.bsky.social · 25/04/2025I wrote a blog for TheDataLab - Innovation Centre about how hashtag #AI is offering faster, more accurate predictions of a #drug's safety. #compchem @bioascent.bsky.social #ml #drugdiscovery #drugdesign #ADMET thedatalab.com/guest-blog/h...thedatalab.comHow AI Makes Finding Safe Medicines Faster - The Data LabDiscover how AI is transforming drug discovery in this guest blog by Dr. Angelo Pugliese of BioAscent. 021
Angelo Pugliese @angelo-rules.bsky.social · 16/04/2025There is always something that you don't know. I didn't know about "Spot GPUs" GPUs (Graphics Processing Units) that are available for short-term, discounted use in cloud computing platforms, typically through a" spot instance" pricing model. Thanks Fovus for the chat at #DrugDiscoveryChemistry 000
Angelo Pugliese @angelo-rules.bsky.social · 15/04/2025Our CADD work on KRAS was acknowledged at #DrugDiscoveryChemisty in San Diego @bioascent.bsky.social 010
Angelo Pugliese @angelo-rules.bsky.social · 27/03/2025Take a tour #compchem #drugdiscovery #drugdesign #lifesciences #cro 010
Angelo Pugliese @angelo-rules.bsky.social · 22/03/2025 @bioascent.bsky.social in action #gymgoers 030
Angelo Pugliese @angelo-rules.bsky.social · 15/03/2025Not too bad with a normal house oven #pizzatime 010
Angelo Pugliese @angelo-rules.bsky.social · 10/03/2025@elrig.org Research and Innovation 2025, London A great day of science and innovation ahead #compchem #drugdesign #drugdiscovery #ai #ml #llm #llms 010
Angelo Pugliese @angelo-rules.bsky.social · 23/01/2025Severe weather alert in the UK, straight to the phone. It scared me. #weather #staysafe 000
Angelo Pugliese @angelo-rules.bsky.social · 22/01/2025bsky.app/profile/bioa... We are on Bluesky, follow us #drugdiscovery #drugdesign #compchem #outsourcing 010
Angelo Pugliese @angelo-rules.bsky.social · 22/01/2025Me thinking that $500B in 4 years is a lot of money into #AI #stargate 010
Angelo Pugliese @angelo-rules.bsky.social · 22/01/2025pubs.rsc.org/en/content/a... Iteresting approach #genAI #AI #drugdesign #drugdiscovery #compchem #chemistrypubs.rsc.orgTopMT-GAN: a 3D topology-driven generative model for efficient and diverse structure-based ligand designRecent advancements in 3D structure-based molecular generative models have shown promise in expediting the hit discovery process in drug design. Despite their potential, efficiently generating a focus... 040
Angelo Pugliese @angelo-rules.bsky.social · 05/12/2024Festive spirit at work, BioAscent Xmas tree #xmas2024 #xmas 010
Angelo Pugliese @angelo-rules.bsky.social · 28/11/2024Happy Thanksgiving to all my friends and contacts in the US.media.tenor.coma cartoon of charlie brown and snoopy holding a turkey with the words happy thanksgiving love youALT: a cartoon of charlie brown and snoopy holding a turkey with the words happy thanksgiving love you 000
Angelo Pugliese @angelo-rules.bsky.social · 22/11/2024Three books for the digital drug discoverer #compchem #ml #ai 0130
Angelo Pugliese @angelo-rules.bsky.social · 22/11/2024Our in-silico discovery team has the capabilities and expertise to support your projects at all stages of the drug discovery workflow and reduce R&D costs and time. Find out more: bit.ly/3e08kja #DrugDiscovery #IntegratedDrugDiscovery #computationalchemistry #CADDbit.lyMedicinal Chemistry Services | BioAscent | Drug Discovery CRO - BioAscent | Integrated Drug Discovery ServicesThe BioAscent team offers a standalone medicinal chemistry service. Our expertise will help you to identify a strong drug candidate, maximising your chances of drug discovery success. 000
Angelo Pugliese @angelo-rules.bsky.social · 22/11/2024Check out my latest article: According-to-my-brain notes from the 7th Artificial Intelligence in Chemistry Symposium linkedin.com/pulse/accord... #compchem #ai #mllinkedin.comNotes from the 7th Artificial Intelligence in Chemistry SymposiumThe beautifully organised 7th AI in Chemistry Symposium in Cambridge showcased exciting advancements at the intersection of artificial intelligence and chemistry. The symposium highlighted the growing... 020
Angelo Pugliese @angelo-rules.bsky.social · 22/11/2024Together with @Novartis and the @theNCI using a fragment-based approach, we discovered novel hits which bound in the KRas "Switch I/II Pocket" and optimised these via a macrocyclization strategy. It was great fun. chemrxiv.org/engage/chemr... #computationalchemistry #medchem #compchemchemrxiv.orgReversible Small Molecule pan-Ras Inhibitors Display Tunable Affinity for the Active and Inactive forms of Ras.Activating mutations of Ras are one of the most prevalent drivers of cancer and are often associated with poor clinical outcomes. Despite FDA approval for two irreversible inhibitors that target the i... 073