المؤلفون: Sultan, Afnan, Sieg, Jochen, Mathea, Miriam, Volkamer, Andrea

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

الوصول الحر: http://arxiv.org/abs/2404.03969Test

المؤلفون: Volkamer, Andrea

مصطلحات موضوعية: Vorhersage aktiver Zentren, Druggability, Enzymfunktion, Proteinfunktion, strukturbasiert, Active site prediction, druggability, enzyme function, protein function, structure-based, 004 Informatik, 35.06 Computeranwendungen, 42.13 Molekularbiologie, 58.30 Biotechnologie, ddc:004

الوصول الحر: http://nbn-resolving.de/urn:nbn:de:gbv:18-60454Test
https://ediss.sub.uni-hamburg.de/handle/ediss/4796Test

المؤلفون: Ackloo, Suzanne, Al-awar, Rima, Amaro, Rommie E, Arrowsmith, Cheryl H, Azevedo, Hatylas, Batey, Robert A, Bengio, Yoshua, Betz, Ulrich AK, Bologa, Cristian G, Chodera, John D, Cornell, Wendy D, Dunham, Ian, Ecker, Gerhard F, Edfeldt, Kristina, Edwards, Aled M, Gilson, Michael K, Gordijo, Claudia R, Hessler, Gerhard, Hillisch, Alexander, Hogner, Anders, Irwin, John J, Jansen, Johanna M, Kuhn, Daniel, Leach, Andrew R, Lee, Alpha A, Lessel, Uta, Morgan, Maxwell R, Moult, John, Muegge, Ingo, Oprea, Tudor I, Perry, Benjamin G, Riley, Patrick, Rousseaux, Sophie AL, Saikatendu, Kumar Singh, Santhakumar, Vijayaratnam, Schapira, Matthieu, Scholten, Cora, Todd, Matthew H, Vedadi, Masoud, Volkamer, Andrea, Willson, Timothy M

المصدر: Nature Reviews Chemistry. 6(4)

مصطلحات موضوعية: Networking and Information Technology R&D (NITRD), Bioengineering

وصف الملف: application/pdf

الوصول الحر: https://escholarship.org/uc/item/6v9825wxTest

المؤلفون: Garcia de Lomana, Marina, Morger, Andrea, Norinder, Ulf, 1956, Buesen, Roland, Landsiedel, Robert, Volkamer, Andrea, Kirchmair, Johannes, Mathea, Miriam

المصدر: Journal of Chemical Information and Modeling. 61(7):3255-3272

وصف الملف: print

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:oru:diva-92562Test
https://doi.org/10.1021/acs.jcim.1c00451Test

المؤلفون: Mullowney, Michael W., Duncan, Katherine R., Elsayed, Somayah S., Garg, Neha, van der Hooft, Justin J.J., Martin, Nathaniel I., Meijer, David, Terlouw, Barbara R., Biermann, Friederike, Blin, Kai, Durairaj, Janani, Gorostiola González, Marina, Helfrich, Eric J.N., Huber, Florian, Leopold-Messer, Stefan, Rajan, Kohulan, de Rond, Tristan, van Santen, Jeffrey A., Sorokina, Maria, Balunas, Marcy J., Beniddir, Mehdi A., van Bergeijk, Doris A., Carroll, Laura M., Clark, Chase M., Clevert, Djork Arné, Dejong, Chris A., Du, Chao, Ferrinho, Scarlet, Grisoni, Francesca, Hofstetter, Albert, Jespers, Willem, Kalinina, Olga V., Kautsar, Satria A., Kim, Hyunwoo, Leao, Tiago F., Masschelein, Joleen, Rees, Evan R., Reher, Raphael, Reker, Daniel, Schwaller, Philippe, Segler, Marwin, Skinnider, Michael A., Walker, Allison S., Willighagen, Egon L., Zdrazil, Barbara, Ziemert, Nadine, Goss, Rebecca J.M., Guyomard, Pierre, Volkamer, Andrea, Gerwick, William H., van Westen, Gerard J.P.

المصدر: Mullowney , M W , Duncan , K R , Elsayed , S S , Garg , N , van der Hooft , J J J , Martin , N I , Meijer , D , Terlouw , B R , Biermann , F , Blin , K , Durairaj , J , Gorostiola González , M , Helfrich , E J N , Huber , F , Leopold-Messer , S , Rajan , K , de Rond , T , van Santen , J A , Sorokina , M , Balunas , M J , Beniddir , M ....

وصف الملف: application/pdf

العلاقة: https://cris.maastrichtuniversity.nl/en/publications/04043be5-bae1-4786-9123-b2cec66d5d95Test

الإتاحة: https://doi.org/10.1038/s41573-023-00774-7Test
https://cris.maastrichtuniversity.nl/en/publications/04043be5-bae1-4786-9123-b2cec66d5d95Test
https://cris.maastrichtuniversity.nl/ws/files/185397342/Willighagen-2023-Artificial-intelligence-for-natural-product.pdfTest

المؤلفون: Volkamer, Andrea, Riniker, Sereina, Nittinger, Eva, Lanini, Jessica, Grisoni, Francesca, Evertsson, Emma, Rodríguez-Pérez, Raquel, Schneider, Nadine

المصدر: Volkamer , A , Riniker , S , Nittinger , E , Lanini , J , Grisoni , F , Evertsson , E , Rodríguez-Pérez , R & Schneider , N 2023 , ' Machine learning for small molecule drug discovery in academia and industry ' , Artificial Intelligence in the Life Sciences , vol. 3 , 100056 . https://doi.org/10.1016/j.ailsci.2022.100056Test

مصطلحات موضوعية: Academia, Compound optimization, Compound properties, DMTA, Drug design, Drug discovery, Machine learning, Model deployment, Model life cycle, Pharmaceutical industry, QSAR

وصف الملف: application/pdf

العلاقة: https://research.tue.nl/en/publications/f3ca0b3a-1e65-4b01-b649-ddb07fbc97daTest

الإتاحة: https://doi.org/10.1016/j.ailsci.2022.100056Test
https://research.tue.nl/en/publications/f3ca0b3a-1e65-4b01-b649-ddb07fbc97daTest
https://pure.tue.nl/ws/files/308504412/1-s2.0-S2667318522000265-main.pdfTest
http://www.scopus.com/inward/record.url?scp=85147471185&partnerID=8YFLogxKTest

المؤلفون: Volkamer, Andrea, Riniker, Sereina, id_orcid:0 000-0003-1893-4031, Nittinger, Eva, Lanini, Jessica, Grisoni, Francesca, Evertsson, Emma, Rodríguez-Pérez, Raquel, Schneider, Nadine

المصدر: Artificial Intelligence in the Life Sciences, 3

مصطلحات موضوعية: Machine learning, Drug discovery, QSAR, Compound properties, Compound optimization, Drug design, Academia, Pharmaceutical industry, Model life cycle, DMTA, Model deployment

وصف الملف: application/application/pdf

العلاقة: http://hdl.handle.net/20.500.11850/633500Test

الإتاحة: https://doi.org/20.500.11850/633500Test
https://doi.org/10.3929/ethz-b-000633500Test
https://doi.org/10.1016/j.ailsci.2022.100056Test
https://hdl.handle.net/20.500.11850/633500Test

المؤلفون: Born, Jannis, id_orcid:0 000-0001-8307-5670, Markert, Greta, Janakarajan, Nikita, id_orcid:0 000-0001-7886-8385, Kimber, Talia B., Volkamer, Andrea, Rodríguez Martínez, María, Manica, Matteo

المصدر: Digital Discovery, 2 (3)

وصف الملف: application/application/pdf

العلاقة: info:eu-repo/semantics/altIdentifier/wos/001101464600001; info:eu-repo/grantAgreement/SNF/Sinergia/193832; http://hdl.handle.net/20.500.11850/629360Test

الإتاحة: https://doi.org/20.500.11850/629360Test
https://doi.org/10.3929/ethz-b-000629360Test
https://doi.org/10.1039/d2dd00099gTest
https://hdl.handle.net/20.500.11850/629360Test

المؤلفون: Jordan, Philipp, Costa, Amanda, Specker, Edgar, Popp, Oliver, Volkamer, Andrea, Piske, Regina, Obrusnik, Tessa, Kleissle, Sabrina, Stuke, Kevin, Rex, Andre, Neuenschwander, Martin, von Kries, Jens Peter, Nazare, Marc, Mertins, Phillip, Kettenmann, Helmut, Wolf, Susanne A.

المساهمون: Mongin, Alexander A., Deutsche Forschungsgemeinschaft, support association for eye diseases (e.V.) “Förderverein für Augenkrankheiten”

المصدر: PLOS ONE ; volume 18, issue 2, page e0278325 ; ISSN 1932-6203

الإتاحة: https://doi.org/10.1371/journal.pone.0278325Test

المؤلفون: Morger, Andrea, Garcia de Lomana, Marina, Norinder, Ulf, 1956, Svensson, Fredrik, Kirchmair, Johannes, Mathea, Miriam, Volkamer, Andrea

المصدر: Scientific Reports. 12(1)

وصف الملف: print

الوصول الحر: https://urn.kb.se/resolve?urn=urn:nbn:se:oru:diva-98864Test
https://doi.org/10.1038/s41598-022-09309-3Test