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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Nikolaus Stiefl

4 results in Authors: Nikolaus Stiefl

Biological and Medicinal Chemistry

Medicinal Chemistry Database GDBMedChem

Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, Jean-Louis Reymond

Version 1 posted 27 February 2019

894

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Theoretical and Computational Chemistry

Drug Analogs from Fragment Based Long Short-Term Memory Generative Neural Networks

Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, Jean-Louis Reymond

Version 2 posted 22 February 2019

1,734

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Theoretical and Computational Chemistry

Learning chemical intuition from humans in the loop

Oh-Hyeon Choung, Riccardo Vianello, Marwin Segler, Nikolaus Stiefl, José Jiménez-Luna

Version 2 posted 16 March 2023

3,827

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Theoretical and Computational Chemistry

SIMPD: an Algorithm for Generating Simulated Time Splits for Validating Machine Learning Approaches

Gregory A. Landrum, Maximilian Beckers, Jessica Lanini, Nadine Schneider, Nikolaus Stiefl, Sereina Riniker

Version 2 posted 04 September 2023

840

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1

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