Christian Margreitter

United States

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Articles (10)

Year:

2023

Year:

2023

Year:

2023

Year:

2023

Year:

2022

Year:

2022

Year:

2022

Year:

2021

Year:

2021

Year:

2020

Collaborators (5)

Franca Fraternali

Professor of Bioinformatics and Computational Biology

King’s College London

UNITED KINGDOM

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James Harry Moore

AstraZeneca UK Limited

UNITED KINGDOM

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Dea Gogishvili

University of Amsterdam

NETHERLANDS

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Katherine Longman

University of Surrey

UNITED KINGDOM

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Deborah Dunn-Walters

University of Surrey

UNITED KINGDOM

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Christian Margreitter

Research Interests

Explore related searches

Contact this professor

Articles (10)

Faster and more diverse de novo molecular optimization with double-loop reinforcement learning using augmented SMILES

Design and Evaluation of a Low Hydrogen Bond Donor Count Fragment Screening Set to Aid Hit Generation of PROTACs Intended for Oral Delivery

Automated relative binding free energy calculations from SMILES to ΔΔG

Link-INVENT: generative linker design with reinforcement learning

Pandemic, Epidemic, Endemic

Icolos: A workflow manager for structure based post-processing of de novo generated small molecules

Improving de novo molecular design with curriculum learning

Nonadditivity in public and inhouse data: implications for drug design

DockStream: a docking wrapper to enhance de novo molecular design

REINVENT 2.0: An AI Tool for De Novo Drug Design

Collaborators (5)

Franca Fraternali

James Harry Moore

Dea Gogishvili

Katherine Longman

Deborah Dunn-Walters

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