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Ola Spjuth
Ola Spjuth
Professor at Department of Pharmaceutical Biosciences, Uppsala University
Email confirmado em farmbio.uu.se - Página inicial
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The Chemistry Development Kit (CDK) v2. 0: atom typing, depiction, molecular formulas, and substructure searching
EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ...
Journal of cheminformatics 9, 1-19, 2017
3932017
Deep learning in image cytometry: a review
A Gupta, PJ Harrison, H Wieslander, N Pielawski, K Kartasalo, G Partel, ...
Cytometry Part A 95 (4), 366-380, 2019
1682019
Transfer learning with deep convolutional neural networks for classifying cellular morphological changes
A Kensert, PJ Harrison, O Spjuth
SLAS Discovery: Advancing Life Sciences R&D 24 (4), 466-475, 2019
1552019
Bioclipse: an open source workbench for chemo-and bioinformatics
O Spjuth, T Helmus, EL Willighagen, S Kuhn, M Eklund, J Wagener, ...
BMC bioinformatics 8 (1), 1-10, 2007
1502007
The ChEMBL database as linked open data
EL Willighagen, A Waagmeester, O Spjuth, P Ansell, AJ Williams, ...
Journal of cheminformatics 5 (1), 1-12, 2013
1402013
Towards reproducible computational drug discovery
N Schaduangrat, S Lampa, S Simeon, MP Gleeson, O Spjuth, ...
Journal of cheminformatics 12, 1-30, 2020
1052020
Open data, open source and open standards in chemistry: the Blue Obelisk five years on
NM O'boyle, R Guha, EL Willighagen, SE Adams, J Alvarsson, JC Bradley, ...
Journal of cheminformatics 3, 1-15, 2011
942011
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse
L Carlsson, O Spjuth, S Adams, RC Glen, S Boyer
BMC bioinformatics 11, 1-7, 2010
912010
Proteochemometric modeling of HIV protease susceptibility
M Lapins, M Eklund, O Spjuth, P Prusis, JES Wikberg
BMC bioinformatics 9, 1-11, 2008
882008
Lessons learned from implementing a national infrastructure in Sweden for storage and analysis of next-generation sequencing data
S Lampa, M Dahlö, PI Olason, J Hagberg, O Spjuth
Gigascience 2 (1), 2047-217X-2-9, 2013
822013
Experiences with workflows for automating data-intensive bioinformatics
O Spjuth, E Bongcam-Rudloff, GC Hernández, L Forer, M Giovacchini, ...
Biology direct 10 (1), 1-12, 2015
792015
Bioclipse 2: A scriptable integration platform for the life sciences
O Spjuth, J Alvarsson, A Berg, M Eklund, S Kuhn, C Mäsak, G Torrance, ...
BMC bioinformatics 10 (1), 1-5, 2009
722009
XMPP for cloud computing in bioinformatics supporting discovery and invocation of asynchronous web services
J Wagener, O Spjuth, EL Willighagen, JES Wikberg
BMC bioinformatics 10, 1-12, 2009
692009
WhichCyp: prediction of cytochromes P450 inhibition
M Rostkowski, O Spjuth, P Rydberg
Bioinformatics 29 (16), 2051-2052, 2013
682013
Predicting with confidence: using conformal prediction in drug discovery
J Alvarsson, SA McShane, U Norinder, O Spjuth
Journal of Pharmaceutical Sciences 110 (1), 42-49, 2021
652021
PhenoMeNal: processing and analysis of metabolomics data in the cloud
K Peters, J Bradbury, S Bergmann, M Capuccini, M Cascante, P de Atauri, ...
GigaScience 8 (2), giy149, 2019
642019
Conformal regression for quantitative structure–activity relationship modeling—quantifying prediction uncertainty
F Svensson, N Aniceto, U Norinder, I Cortes-Ciriano, O Spjuth, L Carlsson, ...
Journal of Chemical Information and Modeling 58 (5), 1132-1140, 2018
582018
Container-based bioinformatics with Pachyderm
JA Novella, P Emami Khoonsari, S Herman, D Whitenack, M Capuccini, ...
Bioinformatics 35 (5), 839-846, 2019
552019
A unified proteochemometric model for prediction of inhibition of cytochrome P450 isoforms
M Lapins, A Worachartcheewan, O Spjuth, V Georgiev, V Prachayasittikul, ...
PLoS One 8 (6), e66566, 2013
502013
Towards interoperable and reproducible QSAR analyses: Exchange of datasets
O Spjuth, EL Willighagen, R Guha, M Eklund, JES Wikberg
Journal of cheminformatics 2 (1), 1-7, 2010
482010
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Artigos 1–20