المؤلفون: Shave, Steven, Kasprowicz, Richard, Athar, Abdullah M., Vlachou, Denise, Carragher, Neil O., Nguyen, Cuong Q.

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

الوصول الحر: http://arxiv.org/abs/2404.18960Test

المؤلفون: Mudd, Gemma, Hendrikse, Megan, Shave, Steven, Houston, Douglas R, Millar, Robert P, Auer, Manfred

المساهمون: Biotechnology and Biological Sciences Research Council

المصدر: Helvetica Chimica Acta ; volume 107, issue 4 ; ISSN 0018-019X 1522-2675

الإتاحة: https://doi.org/10.1002/hlca.202300204Test

المؤلفون: McGibbon, Miles, Shave, Steven, Dong, Jie, Gao, Yumiao, Houston, Douglas R, Xie, Jiancong, Yang, Yuedong, Schwaller, Philippe, Blay, Vincent

مصطلحات موضوعية: Biochemistry and cell biology, Bioinformatics and computational biology, Genetics, SMILES, artificial intelligence, autoencoders, drug discovery, machine learning

العلاقة: Briefings in Bioinformatics; McGibbon, M; Shave, S; Dong, J; Gao, Y; Houston, DR; Xie, J; Yang, Y; Schwaller, P; Blay, V, From intuition to AI: evolution of small molecule representations in drug discovery, Briefings in Bioinformatics, 2023, 25 (1), pp. bbad422; http://hdl.handle.net/10072/427573Test

الإتاحة: https://doi.org/10.1093/bib/bbad422Test
http://hdl.handle.net/10072/427573Test

المؤلفون: Shave, Steven, Dawson, John C, Athar, Abdullah M, Nguyen, Cuong Q, Kasprowicz, Richard, Carragher, Neil O

المساهمون: Kelso, Janet, Medical Research Council research

المصدر: Bioinformatics ; volume 39, issue 4 ; ISSN 1367-4811

مصطلحات موضوعية: Computational Mathematics, Computational Theory and Mathematics, Computer Science Applications, Molecular Biology, Biochemistry, Statistics and Probability

الإتاحة: https://doi.org/10.1093/bioinformatics/btad143Test
https://academic.oup.com/bioinformatics/article-pdf/39/4/btad143/49854553/btad143.pdfTest

المؤلفون: Way, Gregory P., Sailem, Heba, Shave, Steven, Kasprowicz, Richard, Carragher, Neil O.

المساهمون: Medical Research Council

المصدر: SLAS Discovery ; volume 28, issue 7, page 292-305 ; ISSN 2472-5552

مصطلحات موضوعية: Molecular Medicine, Biochemistry, Analytical Chemistry, Biotechnology

الإتاحة: https://doi.org/10.1016/j.slasd.2023.08.009Test
https://api.elsevier.com/content/article/PII:S2472555223000667?httpAccept=text/xmlTest
https://api.elsevier.com/content/article/PII:S2472555223000667?httpAccept=text/plainTest

المؤلفون: Shave, Steven R.

مرشدي الرسالة: Walkinshaw, Malcolm. : Taylor, Paul

مصطلحات موضوعية: 547.7, high preformance computing, virtual screening, structure based virtual screening, ligand based virtual screening

الإتاحة: http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.562862Test

المؤلفون: Shave, Steven, Pham, Nhan T., Auer, Manfred

المساهمون: Medical Research Council, Wellcome Trust, Scottish Universities Life Sciences Alliance

المصدر: Journal of Chemical Information and Modeling ; volume 62, issue 10, page 2264-2268 ; ISSN 1549-9596 1549-960X

الإتاحة: https://doi.org/10.1021/acs.jcim.2c00285Test

المؤلفون: Tollis, Sylvain, Rizzotto, Andrea, Pham, Nhan T., Koivukoski, Sonja, Sivakumar, Aishwarya, Shave, Steven, Wildenhain, Jan, Zuleger, Nikolaj, Keys, Jeremy T., Culley, Jayne, Zheng, Yijing, Lammerding, Jan, Carragher, Neil O., Brunton, Valerie G., Latonen, Leena, Auer, Manfred, Tyers, Mike, Schirmer, Eric C.

المساهمون: Medical Research Council, Sigrid Jus?liuksen S??ti, Institute of Genetics, Sy?p?j?rjest?t, Wellcome Trust, U.S. Department of Defense, Academy of Finland, Division of Chemical, Bioengineering, Environmental, and Transport Systems, Finnish Cancer Institute, National Institutes of Health, H2020 European Research Council, National Science Foundation

المصدر: ACS Chemical Biology ; volume 17, issue 3, page 680-700 ; ISSN 1554-8929 1554-8937

الإتاحة: https://doi.org/10.1021/acschembio.2c00004Test

المؤلفون: Shave, Steven, Pham, Nhan, Auer, Manfred

الإتاحة: https://doi.org/10.22541/au.170666431.12687777/v1Test

المؤلفون: McGibbon, Miles¹ (AUTHOR), Shave, Steven¹ (AUTHOR), Dong, Jie² (AUTHOR), Gao, Yumiao¹ (AUTHOR), Houston, Douglas R¹ (AUTHOR), Xie, Jiancong³ (AUTHOR), Yang, Yuedong³ (AUTHOR), Schwaller, Philippe⁴ (AUTHOR), Blay, Vincent¹ (AUTHOR) v1vblay@ed.ac.uk

المصدر: Briefings in Bioinformatics. Jan2024, Vol. 25 Issue 1, p1-13. 13p.

مصطلحات موضوعية: *ARTIFICIAL intelligence, DRUG discovery, SMALL molecules, HUMAN fingerprints, INTUITION, MACHINE learning