Lars Carlsson

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Scott BoyerCEO ChemotargetsDirección de correo verificada de chemotargets.com
Ola SpjuthProfessor at Department of Pharmaceutical Biosciences, Uppsala UniversityDirección de correo verificada de farmbio.uu.se
Ulf NorinderDepartment of Computer and Systems Sciences, Stockholm UniversityDirección de correo verificada de dsv.su.se
Ernst AhlbergLeader Strategist ScientistDirección de correo verificada de farmbio.uu.se
Jonathan AlvarssonUppsala UniversityDirección de correo verificada de farmbio.uu.se
Ola EngkvistAstraZeneca R&D Gothenburg Orcid:0000-0003-4970-6461Dirección de correo verificada de astrazeneca.com
Hongming ChenBioland LaboratoryDirección de correo verificada de grmh-gdl.cn
robert c. glenCambridge University and Imperial College LondonDirección de correo verificada de cam.ac.uk
Catrin HasselgrenLeadscopeDirección de correo verificada de leadscope.com
Nina JeliazkovaIdeaconsult Ltd.Dirección de correo verificada de ideaconsult.net
Dr James SmithUniversity of LeedsDirección de correo verificada de leeds.ac.uk
Egon WillighagenBiGCaT, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://scholar.social/@egonwDirección de correo verificada de maastrichtuniversity.nl
Andreas BenderProfessor for Molecular Informatics in CambridgeDirección de correo verificada de cam.ac.uk
Jiangming SunLund UniversityDirección de correo verificada de med.lu.se
gilleain torranceResearcherDirección de correo verificada de ebi.ac.uk
Stefan KuhnLecturerDirección de correo verificada de dmu.ac.uk
Vladimir VovkDepartment of Computer Science, Royal Holloway, University of LondonDirección de correo verificada de rhul.ac.uk
Henrik BoströmProfessor in computer science - data science systems, KTH Royal Institute of TechnologyDirección de correo verificada de kth.se
Paolo ToccaceliResearch Assistant, Royal HollowayDirección de correo verificada de rhul.ac.uk
Tomáš PluskalInstitute of Organic Chemistry and Biochemistry of the Czech Academy of SciencesDirección de correo verificada de uochb.cas.cz

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Lars Carlsson

RTHS and CRML, University of London

Dirección de correo verificada de rhul.ac.uk

data science machine learning probability theory scientific computing computational mathematics


Título Ordenar por citas Ordenar por año Ordenar por título	Citado por Citado por	Año
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), 1-19, 2017	318	2017
Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME RC Glen, A Bender, CH Arnby, L Carlsson, S Boyer, J Smith IDrugs 9 (3), 199, 2006	234	2006
Introducing conformal prediction in predictive modeling. A transparent and flexible alternative to applicability domain determination U Norinder, L Carlsson, S Boyer, M Eklund Journal of chemical information and modeling 54 (6), 1596-1603, 2014	149	2014
State-of-the-art tools for computational site of metabolism predictions: comparative analysis, mechanistical insights, and future applications L Afzelius, C Hasselgren Arnby, A Broo, L Carlsson, C Isaksson, U Jurva, ... Drug metabolism reviews 39 (1), 61-86, 2007	146	2007
ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomics J Sun, N Jeliazkova, V Chupakhin, JF Golib-Dzib, O Engkvist, L Carlsson, ... Journal of cheminformatics 9 (1), 1-9, 2017	137	2017
Reaction site mapping of xenobiotic biotransformations S Boyer, CH Arnby, L Carlsson, J Smith, V Stein, RC Glen Journal of chemical information and modeling 47 (2), 583-590, 2007	119	2007
Choosing Feature Selection and Learning Algorithms in QSAR M Eklund, U Norinder, S Boyer, L Carlsson Journal of chemical information and modeling 54 (3), 837-843, 2014	94	2014
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), 1-7, 2010	87	2010
Aggregated Conformal Prediction L Carlsson, M Eklund, U Norinder IFIP International Conference on Artificial Intelligence Applications and …, 2014	77	2014
The application of conformal prediction to the drug discovery process M Eklund, U Norinder, S Boyer, L Carlsson Annals of Mathematics and Artificial Intelligence 74 (1), 117-132, 2015	74	2015
Interpretation of nonlinear QSAR models applied to Ames mutagenicity data L Carlsson, EA Helgee, S Boyer Journal of chemical information and modeling 49 (11), 2551-2558, 2009	67	2009
Applying Mondrian Cross-Conformal Prediction To Estimate Prediction Confidence on Large Imbalanced Bioactivity Data Sets J Sun, L Carlsson, E Ahlberg, U Norinder, O Engkvist, H Chen Journal of chemical information and modeling 57 (7), 1591-1598, 2017	60	2017
Stereo signature molecular descriptor P Carbonell, L Carlsson, JL Faulon Journal of chemical information and modeling 53 (4), 887-897, 2013	59	2013
Assessment of machine learning reliability methods for quantifying the applicability domain of QSAR regression models M Toplak, R Močnik, M Polajnar, Z Bosnić, L Carlsson, C Hasselgren, ... Journal of chemical information and modeling 54 (2), 431-441, 2014	53	2014
How experimental errors influence drug metabolism and pharmacokinetic QSAR/QSPR models MC Wenlock, LA Carlsson Journal of chemical information and modeling 55 (1), 125-134, 2015	50	2015
AZOrange-High performance open source machine learning for QSAR modeling in a graphical programming environment JC Stålring, LA Carlsson, P Almeida, S Boyer Journal of cheminformatics 3 (1), 1-10, 2011	50	2011
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	45	2018
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	44	2014
Beyond the scope of free-Wilson analysis: building interpretable QSAR models with machine learning algorithms H Chen, L Carlsson, M Eriksson, P Varkonyi, U Norinder, I Nilsson Journal of chemical information and modeling 53 (6), 1324-1336, 2013	43	2013
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	35	2014

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