المؤلفون: Maziarz, Krzysztof, Jackson-Flux, Henry, Cameron, Pashmina, Sirockin, Finton, Schneider, Nadine, Stiefl, Nikolaus, Segler, Marwin, Brockschmidt, Marc

مصطلحات موضوعية: Computer Science - Machine Learning, Quantitative Biology - Quantitative Methods

الوصول الحر: http://arxiv.org/abs/2103.03864Test

المؤلفون: Landrum, Gregory, id_orcid:0 000-0001-6279-4481, Beckers, Maximilian, Lanini, Jessica, Schneider, Nadine, Stiefl, Nikolaus, Riniker, Sereina, id_orcid:0 000-0003-1893-4031

المصدر: Journal of Cheminformatics, 15 (1)

مصطلحات موضوعية: Lead optimization, Cross-validation, Machine learning

وصف الملف: application/application/pdf

العلاقة: info:eu-repo/semantics/altIdentifier/wos/001121636000001; http://hdl.handle.net/20.500.11850/648114Test

الإتاحة: https://doi.org/20.500.11850/648114Test
https://doi.org/10.3929/ethz-b-000648114Test
https://doi.org/10.1186/s13321-023-00787-9Test
https://hdl.handle.net/20.500.11850/648114Test

المؤلفون: Isert, Clemens, id_orcid:0 000-0002-4176-7887, Kromann, Jimmy C., Stiefl, Nikolaus, Schneider, Gisbert, id_orcid:0 000-0001-6706-1084, Lewis, Richard A.

المصدر: ACS Omega, 8 (2)

مصطلحات موضوعية: Chemical calculations, Computational modeling, Molecular structure, Molecules, Scaffolds

وصف الملف: application/application/pdf

العلاقة: info:eu-repo/semantics/altIdentifier/wos/000910912700001; info:eu-repo/grantAgreement/SNF/Projekte MINT/182176; http://hdl.handle.net/20.500.11850/595601Test

الإتاحة: https://doi.org/20.500.11850/595601Test
https://doi.org/10.3929/ethz-b-000595601Test
https://doi.org/10.1021/acsomega.2c05607Test
https://hdl.handle.net/20.500.11850/595601Test

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

المساهمون: Swiss Federal Institute of Technology Zurich

المصدر: Journal of Cheminformatics ; volume 15, issue 1 ; ISSN 1758-2946

مصطلحات موضوعية: Library and Information Sciences, Computer Graphics and Computer-Aided Design, Physical and Theoretical Chemistry, Computer Science Applications

الإتاحة: https://doi.org/10.1186/s13321-023-00787-9Test

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

المصدر: Nature Communications ; volume 14, issue 1 ; ISSN 2041-1723

مصطلحات موضوعية: General Physics and Astronomy, General Biochemistry, Genetics and Molecular Biology, General Chemistry, Multidisciplinary

الإتاحة: https://doi.org/10.1038/s41467-023-42242-1Test
https://www.nature.com/articles/s41467-023-42242-1.pdfTest
https://www.nature.com/articles/s41467-023-42242-1Test

المؤلفون: Velcicky, Juraj, Janser, Philipp, Gommermann, Nina, Brenneisen, Silke, Ilic, Slavica, Vangrevelinghe, Eric, Stiefl, Nikolaus, Boettcher, Andreas, Malinverni, Claire, Dawson, Janet, Desrayaud, Sandrine, Beltz, Karen, Hinniger, Alexandra, Dekker, Carien, Farady, Christopher, Mackay, Angela

العلاقة: Velcicky, Juraj, Janser, Philipp, Gommermann, Nina, Brenneisen, Silke, Ilic, Slavica, Vangrevelinghe, Eric, Stiefl, Nikolaus, Boettcher, Andreas, Malinverni, Claire, Dawson, Janet, Desrayaud, Sandrine, Beltz, Karen, Hinniger, Alexandra, Dekker, Carien, Farady, Christopher and Mackay, Angela (2024) Discovery of Potent, Orally Bioavailable, Tricyclic NLRP3 Inhibitors. Journal of medicinal chemistry. ISSN 1520-4804

الإتاحة: https://doi.org/10.1021/acs.jmedchem.3c02098Test
https://oak.novartis.com/52289Test/

المؤلفون: Stiefl, Nikolaus Johannes

مصطلحات موضوعية: ddc:540

وصف الملف: application/pdf

الإتاحة: https://opus.bibliothek.uni-wuerzburg.de/frontdoor/index/index/docId/710Test
https://nbn-resolving.org/urn:nbn:de:bvb:20-opus-8230Test
https://opus.bibliothek.uni-wuerzburg.de/files/710/Dissertation_NikolausStiefl.pdfTest

المؤلفون: Esposito, Carmen, Landrum, Gregory A., Schneider, Nadine, Stiefl, Nikolaus, Riniker, Sereina, id_orcid:0 000-0003-1893-4031

المصدر: Journal of Chemical Information and Modeling, 61 (6)

وصف الملف: application/application/pdf

العلاقة: info:eu-repo/semantics/altIdentifier/wos/000669541400013; http://hdl.handle.net/20.500.11850/495647Test

الإتاحة: https://doi.org/20.500.11850/495647Test
https://doi.org/10.3929/ethz-b-000495647Test
https://doi.org/10.1021/acs.jcim.1c00160Test
https://hdl.handle.net/20.500.11850/495647Test

المؤلفون: Ferrero, Enrico, Brachat, Sophie, Jenkins, Jeremy L., Marc, Philippe, Skewes-Cox, Peter, Altshuler, Robert C., Gubser Keller, Caroline, Kauffmann, Audrey, Sassaman, Erik K., Laramie, Jason M., Schoeberl, Birgit, Borowsky, Mark L., Stiefl, Nikolaus

المساهمون: Markel, Scott

المصدر: PLOS Computational Biology ; volume 16, issue 8, page e1008126 ; ISSN 1553-7358

الإتاحة: https://doi.org/10.1371/journal.pcbi.1008126Test

المؤلفون: Beckers, Maximilian, Sturm, Noé, Sirockin, Finton, Fechner, Nikolas, Stiefl, Nikolaus

المصدر: Journal of Medicinal Chemistry; 10/26/2023, Vol. 66 Issue 20, p14047-14060, 14p