Lukas Friedrich

Data Scientist in Computational Chemistry at Merck Healthcare (Merck KGaA). Opinions are my own and not the views of my employer.

[Gerit Brandenburg @JGBrandenburg]

🚨 #Job #DeepTech

We are actively looking for a #MachineLearning #Scientist with expertise in developing and using data-driven models, numerical #CompChem proficiency, and strong coding skills.

Reach out now:
https://t.co/dTFUNAdux6

#rt appreciated

[Lukas Friedrich @friedo91]

Will be around until Thursday if you have missed my talk. #ACSSpring2024

[Johannes Schimunek @JSchimunek]

🚨 Live demo at ACS Spring 2024 🚨

For the lucky ones participating #ACS2024, check out the live demo by @friedo91

⏰ 08:30am - 09:00am CDT - March 18, 2024
📌 Location: Hall B, Room 3 (Ernest N. Morial Convention Center)

[Johannes Schimunek @JSchimunek]

🚨 Live demo at ACS Spring 2024 🚨

For the lucky ones participating #ACS2024, check out the live demo by @friedo91

⏰ 08:30am - 09:00am CDT - March 18, 2024
📌 Location: Hall B, Room 3 (Ernest N. Morial Convention Center)

[Lukas Friedrich @friedo91]

@exscientiaAI @AliceCapecchi @GDCh_Wifo That’s great. Thanks for the link.

[Lukas Friedrich @friedo91]

Finally I made it. Looking forward to day 2 of #AIChem23 in Cambridge, UK.

[Günter Klambauer @gklambauer]

Predicting molecular activity with XGBoost. 📊🧪
Study on feature importance, highlighting the need for expert interpretation. Hyperparameter optimization is crucial. Valuable guidelines for #cheminformatics practitioners. #ML

Paper: https://t.co/3723XMIPiN

[Lukas Friedrich @friedo91]

@tiago_medchem @JGBrandenburg @merckgroup @A_Aspuru_Guzik @Padraic_AC @ProfvLilienfeld @aicooper @pschwllr @teodorolaino @olexandr You should visit us in Darmstadt next time @tiago_medchem 😎

[ChemMedChem @ChemMedChem]

Metabolism of (R)-Praziquantel versus the Activation of a Parasite Transient Receptor Potential Melastatin Ion Channel (Marchant, Spangenberg et al.) @MCW_CBNA @MerckHealthcare @ISNTD_Press https://t.co/gNpbWJrFJf

[Lukas Friedrich @friedo91]

@merckgroup @edorigatti @ggiuliacantini @jakobwoerner @K_Verstraete @PaulinePfuderer @JuliaKacher @KHrovatin @MarsicoLab @CRUKCamCentre @LMU_Muenchen @Univ_Lorraine @Cambridge_Uni @KU_Leuven @PennMedicine @HelmholtzMunich Congrats Team AI for 1st runner up :-)

[Johannes Schimunek @JSchimunek]

Code availability: https://t.co/OaFyBFjYjR

[Johannes Schimunek @JSchimunek]

We benchmark our model on FS-Mol, provide an ablation study, and perform a domain-shift experiment.

[Johannes Schimunek @JSchimunek]

🚀 Excited to share our #ICLR2023 work on
🚨 context-enriched molecule representations🚦 improve few-shot drug discovery 💊 🚨

Paper: https://t.co/uW6Ft9zZj2
App: HuggingFace 🤗 under prep!

#ICLR2023 🧑‍💼 poster 🗨:
https://t.co/d89129uwdv
⏰ Wed 3 May 4:30 pm - 6:30 pm CAT

[Ingo Hartung @HartungIngo]

We have a job opening in our MedChem department in Darmstadt/GER (Frankfurt area): Join us to discover the next generation of drugs in oncology & immunology (small molecule inhibitors & degraders). Candidates with hands-on #MedChem experience preferred. https://t.co/Un9siLB5Ag

[Jonas Boström @DrBostrom]

A timely paper by Tim Cernak showing how ChatGPT can automatically formulate reaction arrays for common reactions https://t.co/5l0mq9L5vp https://t.co/VUlGgLVoN5

[Lukas Friedrich @friedo91]

@fra_grisoni @ERC_Research @MiChemQSAR @ETH_en @molecularML @TUeindhoven @ICMStue Congrats Francesca :-) Looking forward to the next cappuccino ;-)

[Lukas Friedrich @friedo91]

@skepteis @digital_rsc @jcheminf can you add me as well?
@[email protected]

[Julien Lefranc @LefrancJu]

If your are interested PI3K inhibitors or just want to learn more about the field, check our article on @drughuntersite ! and let us know what you think

[Lukas Friedrich @friedo91]

The results of our joint work with the 2020 #merckfutureinsightprize winner @SieberLab is online. Thanks to Davide and Stephan for your great work and a wonderful collaboration.#DrugDiscovery #MachineLearning @robofresh @MerckHealthcare @UlrichBetz

[Journal of Cheminformatics @jcheminf]

new: "Tuning gradient boosting for imbalanced bioassay modelling with custom loss functions" https://t.co/Ge7lKvjxM7

[Günter Klambauer @gklambauer]

ELLIS ML4Molecules 2022: will take place on Nov 28; FREE EVENT!

Please register here: https://t.co/nxGlKzxqEA