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
Ernst AhlbergLeader Strategist ScientistDirección de correo verificada de farmbio.uu.se
Ulf NorinderMTM Research Centre, School of Science and Technology, Örebro University, Örebro, SwedenDirección de correo verificada de oru.se
Martin EklundProfessor of Epidemiology, Karolinska InstitutetDirección de correo verificada de ki.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 ChenAstrazeneca, Bioland Laboratory, Guangzhou LaboratoryDirección de correo verificada de grmh-gdl.cn
Nina JeliazkovaIdeaconsult Ltd.Dirección de correo verificada de ideaconsult.net
robert c. glenCambridge University and Imperial College LondonDirección de correo verificada de cam.ac.uk
Catrin HasselgrenLeadscopeDirección de correo verificada de leadscope.com
Egon WillighagenTGX, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://social.edu.nl/@egonwDirección de correo verificada de maastrichtuniversity.nl
gilleain torranceResearcherDirección de correo verificada de ebi.ac.uk
John W MayfieldSenior Software Engineer, NextMove Software LtdDirección de correo verificada de nextmovesoftware.com
James SmithUniversity of LeedsDirección de correo verificada de leeds.ac.uk
Vladimir VovkDepartment of Computer Science, Royal Holloway, University of LondonDirección de correo verificada de rhul.ac.uk
Andreas BenderUniversity of Cambridge; Pangea Bio; Universitatea Babeș-Bolyai; UMF ClujDirección de correo verificada de cam.ac.uk
Jiangming SunLund UniversityDirección de correo verificada de med.lu.se
Alexander GammermanProfessor of Computer Science, Royal Holloway University of LondonDirección de correo verificada de rhul.ac.uk
Stefan KuhnLecturerDirección de correo verificada de ut.ee

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Lars Carlsson

RTHS and CRML, University of London, Jönköping University

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, 1-19, 2017	478	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	295	2006
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, 1-9, 2017	221	2017
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	206	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	153	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	128	2014
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	123	2007
Aggregated conformal prediction L Carlsson, M Eklund, U Norinder Artificial Intelligence Applications and Innovations: AIAI 2014 Workshops …, 2014	103	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, 117-132, 2015	96	2015
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	94	2010
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	85	2017
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	73	2009
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	69	2018
Assessment of machine learning reliability methods for quantifying the applicability domain of QSAR regression models M Toplak, R Mocnik, M Polajnar, Z Bosnic, L Carlsson, C Hasselgren, ... Journal of chemical information and modeling 54 (2), 431-441, 2014	67	2014
Stereo signature molecular descriptor P Carbonell, L Carlsson, JL Faulon Journal of chemical information and modeling 53 (4), 887-897, 2013	65	2013
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	56	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	55	2011
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	51	2013
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	45	2014
Exploring In Silico Prediction of the Unbound Brain‐to‐Plasma Drug Concentration Ratio: Model Validation, Renewal, and Interpretation S Varadharajan, S Winiwarter, L Carlsson, O Engkvist, A Anantha, ... Journal of pharmaceutical sciences 104 (3), 1197-1206, 2015	44	2015

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