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MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning.

D. Buterez, J. Janet, S. Kiddle, and P. Liò. J. Chem. Inf. Model., 63 (9): 2667-2678 (May 2023)

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Jon-Paul Griffiths

Janet Merkel

Janet Boatin

Janet Dehmer

Janet Michel

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Navigating the Maize: Cyclic and conditional computational graphs for molecular simulation.T. Löhr, M. Dodds, L. Cao, M. Kabeshov, M. Assante, J. Janet, M. Klähn, and O. Engkvist. CoRR, (2024)Masked Attention is All You Need for Graphs.D. Buterez, J. Janet, D. Oglic, and P. Lio. CoRR, (2024)Improving de novo molecular design with curriculum learning.J. Guo, V. Fialková, J. Arango, C. Margreitter, J. Janet, K. Papadopoulos, O. Engkvist, and A. Patronov. Nat. Mach. Intell., 4 (6): 555-563 (2022)Reusability report: Learning the language of synthetic methods used in medicinal chemistry.J. Janet, A. Tomberg, and J. Boström. Nat. Mach. Intell., 3 (7): 572-575 (2021)Graph Neural Networks with Adaptive Readouts.D. Buterez, J. Janet, S. Kiddle, D. Oglic, and P. Liò. NeurIPS, (2022)Author Correction: Improving de novo molecular design with curriculum learning.J. Guo, V. Fialková, J. Arango, C. Margreitter, J. Janet, K. Papadopoulos, O. Engkvist, and A. Patronov. Nat. Mach. Intell., 4 (8): 731 (2022)Representations and Strategies for Transferable Machine Learning Models in Chemical Discovery.D. Harper, A. Nandy, N. Arunachalam, C. Duan, J. Janet, and H. Kulik. CoRR, (2021)DockStream: a docking wrapper to enhance de novo molecular design.J. Guo, J. Janet, M. Bauer, E. Nittinger, K. Giblin, K. Papadopoulos, A. Voronov, A. Patronov, O. Engkvist, and C. Margreitter. J. Cheminformatics, 13 (1): 89 (2021)MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning.D. Buterez, J. Janet, S. Kiddle, and P. Liò. J. Chem. Inf. Model., 63 (9): 2667-2678 (May 2023)HSQC Spectra Simulation and Matching for Molecular Identification.M. Priessner, R. Lewis, M. Johansson, J. Goodman, J. Janet, and A. Tomberg. J. Chem. Inf. Model., 64 (8): 3180-3191 (2024)

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Disambiguation of "Janet, Jon Paul"

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MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning.

Please choose a person to relate this publication to

Jon-Paul Griffiths

Janet Merkel

Janet Boatin

Janet Dehmer

Janet Michel

Other publications of authors with the same name

Disambiguation

BibSonomy

Disambiguation of "Janet, Jon Paul"

copydeleteadd this publication to your clipboardcommunity posthistory of this postURLDOIBibTeXEndNoteAPAChicagoDIN 1505HarvardMSOffice XML MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning.

Please choose a person to relate this publication to

Jon-Paul Griffiths

Janet Merkel

Janet Boatin

Janet Dehmer

Janet Michel

Other publications of authors with the same name

Disambiguation

copy delete add this publication to your clipboard
community post
history of this post
URL
DOI
BibTeX
EndNote
APA
Chicago
DIN 1505
Harvard
MSOffice XML

MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning.