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Great setting at the #BeilstrinBozen2024 Symposium with many exciting talks, engaged discussions and more perspectives on AI in Chemistry and Biology: Evolution or Revolution? Antonella Di Pizio Noelia Ferruz Beth Plale Guillermo Restrepo Computational Drug Discovery Leiden @csteinbeck Giovanni Cuniberti

The latest by CDD Leiden in collab with ChEMBL Database : "Excuse me, there is a mutant in my bioactivity soup!" A paper wherein genetic variation / mutations in targets are identified and effects are explored. Data available! CC Olivier BQGN Marina Gorostiola González chemrxiv.org/engage/chemrxi…

The latest bij CDD Leiden: A patient-centric knowledge graph approach to prioritize mutants for selective anti-cancer targeting. Great work by Marina Gorostiola González Preprint : lnkd.in/eU92WEJF Data lives here: zenodo.org/records/112367…

We are looking forward to having Andrew Leach for a LED3 hub (inactive account) Lecture on Thursday, October 24th, at 4:00 p.m. He will give us insights into his efforts to "Democratize Drug Discovery with Open Data". If you are interested, make sure to come by! universiteitleiden.nl/en/science/led…

The latest by CDD Leiden: AlphaFold Meets De Novo Drug Design: Leveraging Structural Protein Information in Multitarget Molecular Generative Models Usage alphafold embeddings for cross-attention directing SMILES based molecular generators. Open acces: pubs.acs.org/doi/10.1021/ac…

I am looking for a technician in Artificial Intelligence and computational drug discovery. You will be part of my team and embedded in Oncode Accelerator (AI Platform). Come join us at Computational Drug Discovery Leiden , we have cake and GPUs! Details: universiteitleiden.nl/vacatures/2024…

Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design 1. This study demonstrates the integration of pharmacokinetic (PK) and pharmacodynamic (PD) considerations into the DrugEx generative drug design framework, addressing the

The ICCS website is updated with the preliminary program. Have a look! Registration (via conftool) is also already opened. Remember the abstract deadline if valentine's day (Feb 14th) iccs-nl.org/general-inform…

Over the last 2 years Willem Jespers 🦔 and myself have set-up and tested an integrated coding environment for students BPS at LACDR. Using the noteable platform, which was integrated with the online environment Brightspace, we can teach them coding in R and Python via Jupyter

! Deadline extended ! Dear community, We were informed that there were some issues with the website of the ICCS about a week ago and have extended the abstract submissiond deadline to February 28th. We would like to also inform you that submitted abstracts have all been

We are very happy to confirm sponship of the ICCS by: CCG_MOE (Premier sponsor) Chemaxon (Platinum sponsor) Cresset (Silver sponsor) Thank you very much for the support of our great conference! See our website for more details: iccs-nl.org/sponsors/

The latest from CDD Leiden! Towards assay-aware bioactivity model(er)s: getting a grip on biological context We show how including assay descriptors in PCM models improves performance. chemrxiv.org/engage/chemrxi…

Paper Alert! 🔬 We tackled synthesizable de novo drug design using only in-house resources (~6,000 building blocks) and experimentally evaluated 3 MGLL inhibitor candidates, with one showing evident activity! rdcu.be/efMN5 #DrugDiscovery #GenAI #DeNovoDrugDesign #CASP

We are happy to inform you that we have drafted the preliminary program for the 13th ICCS. We were overwhelmed by the number and quality of the abstracts! We are happy to inform you that we could increase the max participants by 20 after discussing with the hotel! Submitters of

The latest from CDD Leiden: Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design by Helle vd Maagdenberg pubs.acs.org/doi/10.1021/ac…

Counting down to the ICCS...! Oral presentation program online: iccs-nl.org/general-inform… Poster session online: iccs-nl.org/posters/ Last minute information and instructions: iccs-nl.org/instructions-f… Looking forward to a great conference!

Linde talking about her work at the #ICCS2025. Preprint here: chemrxiv.org/engage/chemrxi…

Integrating Pharmacokinetics and Quantitative Systems Pharmacology Approaches in Generative Drug Design pubs.acs.org/doi/10.1021/ac… Gerard JP van Westen Computational Drug Discovery Leiden #JCIM Vol65 Issue10 #MachineLearning #DeepLearning

Very happy to continue with this amazing project! rijksoverheid.nl/actueel/nieuws…

We are hiring! Come join our team. We still have GPUs and cake, but also very intelligent and motivated students..! This is a 2-year position in the area of computational drug discovery. universiteitleiden.nl/vacatures/2025…