Design and Diversity Analysis of Chemical Libraries in Drug Discovery
Dionisio A. Olmedo, Armando A. Durant-Archibold, José Luis López-Pérez, José L. Medina-Franco, ChemRxiv. Cambridge: Cambridge Open Engage; 2023; preprint.
DOI: https://chemrxiv.org/engage/chemrxiv/article-details/640e39ae7290f69f8ee0fe51
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Dionisio A. Olmedo, Armando A. Durant-Archibold, José Luis López-Pérez, José L. Medina-Franco, ChemRxiv. Cambridge: Cambridge Open Engage; 2023; preprint.
DOI: https://chemrxiv.org/engage/chemrxiv/article-details/640e39ae7290f69f8ee0fe51
Full Citation ; more papers on: Drug Discovery
GenSMILES: An enhanced validity conscious representation for inverse design of molecules
Arun Singh Bhadwal, Kamal Kumar, Neeraj Kumar, Knowledge-Based Systems, V 268 (2023) 110429, ISSN 0950-7051
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Full Citation ; more papers on: Development
Arun Singh Bhadwal, Kamal Kumar, Neeraj Kumar, Knowledge-Based Systems, V 268 (2023) 110429, ISSN 0950-7051
DOI: https://doi.org/10.1016/j.knosys.2023.110429
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ChemicalX: A Deep Learning Library for Drug Pair Scoring
B Rozemberczki, CT Hoyt, A Gogleva, P Grabowski…, arXiv preprint arXiv …, 2022
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B Rozemberczki, CT Hoyt, A Gogleva, P Grabowski…, arXiv preprint arXiv …, 2022
DOI: https://doi.org/10.48550/arXiv.2202.05240
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The LOTUS initiative for open knowledge management in natural products research
Adriano Rutz, Maria Sorokina, Jakub Galgonek, Daniel Mietchen, Egon Willighagen, Arnaud Gaudry, James G Graham, Ralf Stephan, Roderic Page, Jiří Vondrášek, Christoph Steinbeck, Guido F Pauli, Jean-Luc Wolfender, Jonathan Bisson Is a corresponding author , Pierre-Marie Allard, research eLife 11:e70780 (2022).https://doi.org/10.7554/eLife.70780
DOI: https://doi.org/10.7554/eLife.70780
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Adriano Rutz, Maria Sorokina, Jakub Galgonek, Daniel Mietchen, Egon Willighagen, Arnaud Gaudry, James G Graham, Ralf Stephan, Roderic Page, Jiří Vondrášek, Christoph Steinbeck, Guido F Pauli, Jean-Luc Wolfender, Jonathan Bisson Is a corresponding author , Pierre-Marie Allard, research eLife 11:e70780 (2022).https://doi.org/10.7554/eLife.70780
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Biosynthesis and Biological Profiling of Collinolactone and Semisynthetic Derivatives and MetaboIDent, a Novel Tool for Automated Dereplication
JC Schmid, Ph D Dissertation; Mathematics and Natural Sciences. Eberhard Karls University of Tübingen.
DOI: https://tobias-lib.ub.uni-tuebingen.de/xmlui/bitstream/handle/10900/137947/Dissertation_Schmid.pdf?sequence=2&isAllowed=y
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JC Schmid, Ph D Dissertation; Mathematics and Natural Sciences. Eberhard Karls University of Tübingen.
DOI: https://tobias-lib.ub.uni-tuebingen.de/xmlui/bitstream/handle/10900/137947/Dissertation_Schmid.pdf?sequence=2&isAllowed=y
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Unraveling compound taxonomies in untargeted metabolomics through artificial intelligence
Henrique dos Santos Silva, Dissertation for Master's Degree in Biochemistry Specialization in Biochemistry, U Lisbon, Portugal
DOI: http://hdl.handle.net/10451/56544
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Henrique dos Santos Silva, Dissertation for Master's Degree in Biochemistry Specialization in Biochemistry, U Lisbon, Portugal
DOI: http://hdl.handle.net/10451/56544
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Automatic kinetic model generation: a novel modeling approach for liquid-phase processes
Gust Popelier, Dissertation for Master of Science in Chemical Engineering, Ghent U (2022).
DOI:
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Gust Popelier, Dissertation for Master of Science in Chemical Engineering, Ghent U (2022).
DOI:
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The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs)
Adelene Lai, Alex M. Clark, Beate I. Escher, Marc Fernandez, Leah R. McEwen, Zhenyu Tian, Zhanyun Wang, Emma L. Schymanski, Environ. Sci. Technol. 2022.
DOI: https://doi.org/10.1021/acs.est.2c00321
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Adelene Lai, Alex M. Clark, Beate I. Escher, Marc Fernandez, Leah R. McEwen, Zhenyu Tian, Zhanyun Wang, Emma L. Schymanski, Environ. Sci. Technol. 2022.
DOI: https://doi.org/10.1021/acs.est.2c00321
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