Publications by authors named "Daniel Probst"

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MITE: the Minimum Information about a Tailoring Enzyme database for capturing specialized metabolite biosynthesis.
Adriano Rutz, Daniel Probst, César Aguilar, Daniel Y Akiyama, Fabrizio Alberti

Nucleic Acids Res· September 2025

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Language models can identify enzymatic binding sites in protein sequences.
Yves Gaetan Nana Teukam, Loïc Kwate Dassi, Matteo Manica, Daniel Probst, Philippe Schwaller

Comput Struct Biotechnol J· December 2024

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EnzymeMap: curation, validation and data-driven prediction of enzymatic reactions.
Esther Heid, Daniel Probst, William H Green, Georg K H Madsen

Chem Sci· December 2023

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An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification.
Daniel Probst

J Cheminform· November 2023

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Alchemical analysis of FDA approved drugs.
Markus Orsi, Daniel Probst, Philippe Schwaller, Jean-Louis Reymond

Digit Discov· October 2023

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Fuelling the Digital Chemistry Revolution with Language Models.
Antonio Cardinale, Alessandro Castrogiovanni, Theophile Gaudin, Joppe Geluykens, Teodoro Laino, Daniel Probst

Chimia (Aarau)· August 2023

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Quantum chemical data generation as fill-in for reliability enhancement of machine-learning reaction and retrosynthesis planning.
Alessandra Toniato, Jan P Unsleber, Alain C Vaucher, Thomas Weymuth, Daniel Probst

Digit Discov· June 2023

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What is the Rate of Response to Nonoperative Treatment for Hip-Related Pain? A Systematic Review With Meta-analysis.
Daniel T Probst, Michael F Sookochoff, Marcie Harris-Hayes, Heidi Prather, Kim L Lipsey

J Orthop Sports Phys Ther· May 2023

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Aiming beyond slight increases in accuracy.
Daniel Probst

Nat Rev Chem· April 2023

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The Societal and Scientific Importance of Inclusivity, Diversity, and Equity in Machine Learning for Chemistry.
Daniel Probst

Chimia (Aarau)· February 2023

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Reaction classification and yield prediction using the differential reaction fingerprint DRFP.
Daniel Probst, Philippe Schwaller, Jean-Louis Reymond

Digit Discov· April 2022

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Biocatalysed synthesis planning using data-driven learning.
Daniel Probst, Matteo Manica, Yves Gaetan Nana Teukam, Alessandro Castrogiovanni, Federico Paratore

Nat Commun· February 2022

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Hepatic epithelioid hemangioendothelioma associated with acute disseminated encephalomyelitis by a possible paraneoplastic process.
Adem Aktas, Daniel Probst, Brian Van Tine, Kathryn Marlow

Rare Tumors· November 2020

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Fascial Manipulation method as a treatment for pain, atrophy and skin depigmentation after pes anserine bursa corticosteroid injection: A case report.
Andrew Creighton, Antonio Stecco, Amy Whitelaw, Daniel Probst, Devyani Hunt

J Bodyw Mov Ther· October 2020

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Communicating Near Real-Time Data During the COVID-19 Pandemic.
Daniel Probst

Chimia (Aarau)· August 2020

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The name tells the story: Two-pore channels.
Paulina Stokłosa, Daniel Probst, Jean-Louis Reymond, Christine Peinelt

Cell Calcium· July 2020

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One molecular fingerprint to rule them all: drugs, biomolecules, and the metabolome.
Alice Capecchi, Daniel Probst, Jean-Louis Reymond

J Cheminform· June 2020

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Visualization of very large high-dimensional data sets as minimum spanning trees.
Daniel Probst, Jean-Louis Reymond

J Cheminform· February 2020

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Isolated Axillary Nerve Injury in an Elite High School American Football Player: A Case Report.
Daniel T Probst, Susan E Mackinnon, Heidi Prather

Sports Health· December 2019

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Exploring Chemical Space with Machine Learning.
Josep Arús-Pous, Mahendra Awale, Daniel Probst, Jean-Louis Reymond

Chimia (Aarau)· December 2019

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Piriformis Syndrome: A Narrative Review of the Anatomy, Diagnosis, and Treatment.
Daniel Probst, Alison Stout, Devyani Hunt

PM R· August 2019

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A Narrative Review of Musculoskeletal Impairments Associated With Nonspecific Chronic Pelvic Pain.
Marcie Harris-Hayes, Theresa Spitznagle, Daniel Probst, Stefanie N Foster, Heidi Prather

PM R· August 2019

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PubChem and ChEMBL beyond Lipinski.
Alice Capecchi, Mahendra Awale, Daniel Probst, Jean-Louis Reymond

Mol Inform· May 2019

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Optimizing TRPM4 inhibitors in the MHFP6 chemical space.
Clémence Delalande, Mahendra Awale, Matthias Rubin, Daniel Probst, Lijo C Ozhathil

Eur J Med Chem· March 2019

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A probabilistic molecular fingerprint for big data settings.
Daniel Probst, Jean-Louis Reymond

J Cheminform· December 2018

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