
Peter Hartog
@pbrhartog
PhD Candidate TUM/AstraZeneca - "One Chemistry: Unified and interpretable deep neural networks model for drug discovery" @AiddOne @HorizonEU
ID: 578216663
https://www.linkedin.com/in/pbrhartog/ 12-05-2012 16:57:35
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55 Followers
82 Following

https://bsky.app/profile/aidd.bsky.social fellows attending #BAYESCOMP2023! It was such a great opportunity to learn more about the field of Bayesian and probabilistic modeling in the very nice Lapland atmosphere! #aidd




It has already been a month since I joined AstraZeneca, looking forward to thr amazing collaborations with the team





Are you interested in how #XAI & chemical #languagemodels can propel multi-target drug design? Don’t miss out on this opportunity! 🎯 Apply to the open #PhD position in the exciting https://bsky.app/profile/aichemist.bsky.social – funded by Marie Skłodowska-Curie Actions✨ You will join forces with us Molecular Machine Learning & Sanofi!💪🏻


3-year PostDoc position available in the group Looking for candidates interested in any of the following: electronic structure theory for interfaces, nonadiabatic dynamics in materials, machine learning in chemistry/physics warwick-careers.tal.net/vx/lang-en-GB/…… deadline: 5.9. #compchem

Paula Torren Peraire presents her work "Models Matter: The Impact of Single-Step Retrosynthesis on Synthesis Planning" at the ACS meeting in San Francisco American Chemical Society





🔬A “Google” for microscopy images and molecules🔬 Given an image of cells treated with a molecule, CLOOME can correctly identify this molecule – a task considered impossible even for human experts! Work by Ana Sanchez-Fernandez of https://bsky.app/profile/aidd.bsky.social. Paper: doi.org/10.1038/s41467…



Excited to share our recent publication! Andrea Hunklinger worked on an ensembling model during their BSc thesis for the Kaggle EUOS/SLAS compound solubility challenge and our methods were chosen as the winning solution. https://bsky.app/profile/aidd.bsky.social #SLASS Read more here: sciencedirect.com/science/articl…

Our research on test-time augmentation in Explainable AI for toxicity prediction was accepted by the Journal of Cheminformatics last month! 🚀 Read more about our investigations into XAI here: doi.org/10.1186/s13321… #XAI #ML https://bsky.app/profile/aidd.bsky.social

Finally, officially open! Open #postdoc position in Organic/Medicinal Chemistry for generative #AI in Drug Discovery — join us Molecular Machine Learning TU Eindhoven 💪🏻 Funded by European Research Council (ERC) Deadline: Jan 15, 25 More info below👇 jobs.tue.nl/nl/vacature/po… Repost appreciated! 🔃

Investigations into the Efficiency of Computer-Aided Synthesis Planning pubs.acs.org/doi/10.1021/ac… Peter Hartog #JCIM Vol65 Issue4 #MachineLearning #DeepLearning