Eunjae Shim
@EunjaeShim1
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Schmidt AI in Science Postdoc with @NarayanLab Ph.D. from @ZimmermanUMich & Cernak groups @MichiganChem Data Science, Organic Chemistry Hobby Photographer
Joined February 2020
My first first author #compchem paper is out in Chemical Science! #MyFirstChemSci #ML4Chem.We looked at combining transfer learning and active learning in a small data regime to quickly identify reaction conditions for new substrate types!.
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RT @NarayanLab: Calling everyone interested in learning biocatalysis! Come to the Narayan lab to learn the biocat basics. Please apply here….
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RT @ZimmermanUMich: Check out our latest article by @EunjaeShim1 now published in @ChemicalScience on label ranking, introduced as an effic….
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RT @Apatoneh: Excited to share an awesome collab between the @NarayanLab ang @gpggrp! Check out our preprint on CATNIP, using ML to help ch….
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RT @AliciaCurth: Why do Random Forests perform so well off-the-shelf & appear essentially immune to overfitting?!?. I’ve found the text-boo….
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RT @skepteis: 1/6.Molecular set representation learning. Do we need molecular topology or are sets of vectors of atomic invariants (~ECFP0)….
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RT @katie_kang_: New paper!! We found a pattern in how NNs extrapolate: as inputs become more OOD, model outputs tend to go towards some “a….
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RT @anthonygitter: This looks like a good new dataset for evaluating machine learning protein engineering models: .
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RT @KevinKaichuang: On the simplicity of protein sequence-function relationships. "We find that main and pairwise effects, together with a….
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RT @SerranoAcademy: So happy to see good feedback on my latest Attention video! It took me a lot of thinking, scribbling, and asking the ex….
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RT @JuliaBauman2: Can scientists be taught how to choose good projects?. I took a fantastic class taught by @mfgrp last quarter where the f….
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Happy to have given my first "in-person" presentation at #ACSFall2023 #CINF ML and AI for Organic Chemistry! Was great getting to know other people that share similar views. Thanks to those who asked questions and showed interest - means a lot to an imposter :)
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RT @Wuakatela: The @ZimmermanUMich group is at #ACSFall2023 come check out the amazing science from our group.
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Honored for our perspective on low-data machine learning (centered on transfer- and active learning) for organic synthesis in @JCIM_JCTC to be highlighted @OPRD_ACS. The paper can be seen here:.
pubs.acs.org
Machine learning models are increasingly being utilized to predict outcomes of organic chemical reactions. A large amount of reaction data is used to train these models, which is in stark contrast to...
It's time once again for ✨Some Items of Interest to Process R&D Chemists and Engineers ✨ 🤸♂️ Catch up with what's happening in the scalable chemistry world:
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RT @fcrameri: Scientific colour maps 8.0. #useBatlow.#ScientificVisualisation #visualisation #Science #ColourPalet….
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Happy to share our view on transfer- and active learning as strategies for reaction development in a low-data regime in @JCIM_JCTC !.
pubs.acs.org
Machine learning models are increasingly being utilized to predict outcomes of organic chemical reactions. A large amount of reaction data is used to train these models, which is in stark contrast to...
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RT @J_A_C_S: Formal Cross-Coupling of Amines and Carboxylic Acids to Form sp3–sp2 Carbon–Carbon Bonds @UMichPharmacy @UMich @MichiganChem @….
pubs.acs.org
Amines and carboxylic acids are abundant synthetic building blocks that are classically united to form an amide bond. To access new pockets of chemical space, we are interested in the development of...
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RT @JakeYeston: Also this week, Tim Cernak’s group present a key step analysis to complement retrosynthetic software predictions, then show….
science.org
Computer-aided retrosynthesis supplemented by graph-based step prioritization minimized step count in an alkaloid synthesis.
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