Jonathan Alvarsson
Jonathan Alvarsson
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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), 33, 2017
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
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
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, 1-5, 2009
A confidence predictor for logD using conformal regression and a support-vector machine
M Lapins, S Arvidsson, S Lampa, A Berg, W Schaal, J Alvarsson, O Spjuth
Journal of cheminformatics 10, 1-10, 2018
Ex vivo assessment of drug activity in patient tumor cells as a basis for tailored cancer therapy
K Blom, P Nygren, J Alvarsson, R Larsson, CR Andersson
Journal of laboratory automation 21 (1), 178-187, 2016
SciPipe: A workflow library for agile development of complex and dynamic bioinformatics pipelines
S Lampa, M Dahlö, J Alvarsson, O Spjuth
GigaScience 8 (5), giz044, 2019
Large-scale ligand-based predictive modelling using support vector machines
J Alvarsson, S Lampa, W Schaal, C Andersson, JES Wikberg, O Spjuth
Journal of cheminformatics 8, 1-9, 2016
Ligand-based target prediction with signature fingerprints
J Alvarsson, M Eklund, O Engkvist, O Spjuth, L Carlsson, JES Wikberg, ...
Journal of chemical information and modeling 54 (10), 2647-2653, 2014
Evaluating parameters for ligand-based modeling with random forest on sparse data sets
A Kensert, J Alvarsson, U Norinder, O Spjuth
Journal of cheminformatics 10 (1), 49, 2018
Linking the resource description framework to cheminformatics and proteochemometrics
EL Willighagen, J Alvarsson, A Andersson, M Eklund, S Lampa, M Lapins, ...
Journal of Biomedical Semantics 2, 1-24, 2011
Towards agile large-scale predictive modelling in drug discovery with flow-based programming design principles
S Lampa, J Alvarsson, O Spjuth
Journal of cheminformatics 8, 1-12, 2016
Benchmarking study of parameter variation when using signature fingerprints together with support vector machines
J Alvarsson, M Eklund, C Andersson, L Carlsson, O Spjuth, JES Wikberg
Journal of chemical information and modeling 54 (11), 3211-3217, 2014
Predicting off-target binding profiles with confidence using conformal prediction
S Lampa, J Alvarsson, S Arvidsson Mc Shane, A Berg, E Ahlberg, ...
Frontiers in pharmacology 9, 1256, 2018
In silico prediction of volume of distribution of drugs in man using conformal prediction performs on par with animal data-based models
U Fagerholm, S Hellberg, J Alvarsson, S Arvidsson McShane, O Spjuth
Xenobiotica 51 (12), 1366-1371, 2021
Scaling predictive modeling in drug development with cloud computing
BT Moghadam, J Alvarsson, M Holm, M Eklund, L Carlsson, O Spjuth
Journal of Chemical Information and Modeling 55 (1), 19-25, 2015
Introduction to pharmaceutical bioinformatics
J Wikberg, M Eklund, E Willighagen, O Spjuth, M Lapins, O Engkvist, ...
Oakleaf Academic, 2010
Bioclipse-R: integrating management and visualization of life science data with statistical analysis
O Spjuth, V Georgiev, L Carlsson, J Alvarsson, A Berg, E Willighagen, ...
Bioinformatics 29 (2), 286-289, 2013
Open source drug discovery with bioclipse
O Spjuth, L Carlsson, J Alvarsson, V Georgiev, E Willighagen, M Eklund
Current Topics in Medicinal Chemistry 12 (18), 1980-1986, 2012
Brunn: An open source laboratory information system for microplates with a graphical plate layout design process
J Alvarsson, C Andersson, O Spjuth, R Larsson, JES Wikberg
BMC bioinformatics 12, 1-8, 2011
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