עקוב אחר
Lars Carlsson
Lars Carlsson
RTHS and CRML, University of London
כתובת אימייל מאומתת בדומיין rhul.ac.uk
כותרת
צוטט על ידי
צוטט על ידי
שנה
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
4412017
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
2772006
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
1952017
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
1862014
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
1522007
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
1242007
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
1122014
Aggregated conformal prediction‏
L Carlsson, M Eklund, U Norinder‏
Artificial Intelligence Applications and Innovations: AIAI 2014 Workshops …, 2014‏
942014
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
942010
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
882015
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
732017
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
722009
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
652014
Stereo signature molecular descriptor‏
P Carbonell, L Carlsson, JL Faulon‏
Journal of chemical information and modeling 53 (4), 887-897, 2013‏
622013
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
602018
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
532015
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
522011
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
482013
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
442014
Deconvoluting Kinase Inhibitor Induced Cardiotoxicity‏
SD Lamore, E Ahlberg, S Boyer, ML Lamb, MP Hortigon-Vinagre, ...‏
Toxicological Sciences 158 (1), 213-226, 2017‏
402017
המערכת אינה יכולה לבצע את הפעולה כעת. נסה שוב מאוחר יותר.
מאמרים 1–20