Lars Carlsson

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Scott BoyerCEO ChemotargetsZweryfikowany adres z chemotargets.com
Ernst AhlbergLeader Strategist ScientistZweryfikowany adres z farmbio.uu.se
Ola SpjuthProfessor at Department of Pharmaceutical Biosciences, Uppsala UniversityZweryfikowany adres z farmbio.uu.se
Ulf NorinderMTM Research Centre, School of Science and Technology, Örebro University, Örebro, SwedenZweryfikowany adres z oru.se
Martin EklundProfessor of Epidemiology, Karolinska InstitutetZweryfikowany adres z ki.se
Jonathan AlvarssonUppsala UniversityZweryfikowany adres z farmbio.uu.se
Ola EngkvistAstraZeneca R&D Gothenburg Orcid:0000-0003-4970-6461Zweryfikowany adres z astrazeneca.com
Hongming ChenAstrazeneca, Bioland Laboratory, Guangzhou LaboratoryZweryfikowany adres z grmh-gdl.cn
robert c. glenCambridge University and Imperial College LondonZweryfikowany adres z cam.ac.uk
Nina JeliazkovaIdeaconsult Ltd.Zweryfikowany adres z ideaconsult.net
Catrin HasselgrenLeadscopeZweryfikowany adres z leadscope.com
Egon WillighagenTGX, NUTRIM, Maastricht University/NL, ORCID:0000-0001-7542-0286, https://social.edu.nl/@egonwZweryfikowany adres z maastrichtuniversity.nl
James SmithUniversity of LeedsZweryfikowany adres z leeds.ac.uk
Vladimir VovkDepartment of Computer Science, Royal Holloway, University of LondonZweryfikowany adres z rhul.ac.uk
Andreas BenderKhalifa University; University of Cambridge; Pangea Bio; Universitatea Babeș-Bolyai; UMF ClujZweryfikowany adres z ku.ac.ae
Jiangming SunAssociate Professor at Lund UniversityZweryfikowany adres z med.lu.se
Alexander GammermanProfessor of Computer Science, Royal Holloway University of LondonZweryfikowany adres z rhul.ac.uk
gilleain torranceResearcherZweryfikowany adres z ebi.ac.uk
John W MayfieldSenior Software Engineer, NextMove Software LtdZweryfikowany adres z nextmovesoftware.com
Paolo ToccaceliResearch Assistant, Royal HollowayZweryfikowany adres z rhul.ac.uk

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Lars Carlsson

RTHS and CRML, University of London, Jönköping University

Zweryfikowany adres z rhul.ac.uk

data science machine learning probability theory scientific computing computational mathematics


Tytuł Sortuj wg cytatów Sortuj wg roku Sortuj wg tytułu	Cytowane przez Cytowane przez	Rok
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	500	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	305	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	233	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	212	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	156	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	132	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	125	2007
Aggregated conformal prediction L Carlsson, M Eklund, U Norinder Artificial Intelligence Applications and Innovations: AIAI 2014 Workshops …, 2014	107	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	97	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	95	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	87	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	76	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	71	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	68	2014
Stereo signature molecular descriptor P Carbonell, L Carlsson, JL Faulon Journal of chemical information and modeling 53 (4), 887-897, 2013	68	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	57	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	54	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	52	2013
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	45	2015
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

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