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2010 – 2019
- 2015
[j18]Martin Eklund, Ulf Norinder
, Scott Boyer, Lars Carlsson:
The application of conformal prediction to the drug discovery process. Ann. Math. Artif. Intell. 74(1-2): 117-132 (2015)- 2014
- [j17]Marko Toplak, Rok Mocnik, Matija Polajnar, Zoran Bosnic, Lars Carlsson, Catrin Hasselgren Arnby, Janez Demsar, Scott Boyer, Blaz Zupan, Jonna C. Stålring:
Assessment of Machine Learning Reliability Methods for Quantifying the Applicability Domain of QSAR Regression Models. J. Chem. Inf. Model. 54(2): 431-441 (2014) - [j16]Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson:
Choosing Feature Selection and Learning Algorithms in QSAR. J. Chem. Inf. Model. 54(3): 837-843 (2014) - [j15]Ulf Norinder, Lars Carlsson, Scott Boyer, Martin Eklund:
Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination. J. Chem. Inf. Model. 54(6): 1596-1603 (2014) - [j14]Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer:
Computational Derivation of Structural Alerts from Large Toxicology Data Sets. J. Chem. Inf. Model. 54(10): 2945-2952 (2014) - 2013
- [j13]Jonna C. Stålring, Pedro Almeida, Lars Carlsson, Ernst Ahlberg Helgee, Catrin Hasselgren Arnby, Scott Boyer:
Localized Heuristic Inverse Quantitative Structure Activity Relationship with Bulk Descriptors Using Numerical Gradients. J. Chem. Inf. Model. 53(8): 2001-2017 (2013) - 2012
- [j12]Anna Bauer-Mehren, Erik M. van Mulligen, Paul Avillach, María del Carmen Carrascosa, Ricard García-Serna, Janet Piñero González, Bharat Singh, Pedro Lopes, José Luís Oliveira, Gayo Diallo, Ernst Ahlberg Helgee, Scott Boyer, Jordi Mestres, Ferran Sanz, Jan A. Kors, Laura Inés Furlong:
Automatic Filtering and Substantiation of Drug Safety Signals. PLoS Comput. Biol. 8(4) (2012) - [c2]Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson:
Application of Conformal Prediction in QSAR. AIAI (2) 2012: 166-175 - 2011
- [j11]Jonna C. Stålring, Lars Carlsson, Pedro Almeida, Scott Boyer:
AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment. J. Cheminformatics 3: 28 (2011) - [j10]Ola Spjuth, Martin Eklund, Ernst Ahlberg Helgee, Scott Boyer, Lars Carlsson:
Integrated Decision Support for Assessing Chemical Liabilities. J. Chem. Inf. Model. 51(8): 1840-1847 (2011) - 2010
- [j9]Lars Carlsson, Ola Spjuth, Samuel E. Adams, Robert C. Glen, Scott Boyer:
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse. BMC Bioinform. 11: 362 (2010) - [j8]Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer, Ulf Norinder:
Evaluation of Quantitative Structure-Activity Relationship Modeling Strategies: Local and Global Models. J. Chem. Inf. Model. 50(4): 677-689 (2010)
2000 – 2009
- 2009
- [j7]Lars Carlsson, Ernst Ahlberg Helgee, Scott Boyer:
Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data. J. Chem. Inf. Model. 49(11): 2551-2558 (2009) - [j6]Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer:
A Method for Automated Molecular Optimization Applied to Ames Mutagenicity Data. J. Chem. Inf. Model. 49(11): 2559-2563 (2009) - 2007
- [j5]Claire L. Gavaghan, Catrin Hasselgren Arnby, Niklas Blomberg, Gert Strandlund, Scott Boyer:
Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data. J. Comput. Aided Mol. Des. 21(4): 189-206 (2007) - [j4]Matthew Paul Gleeson, Andrew M. Davis, Kamaldeep K. Chohan, Stuart Paine, Scott Boyer, Claire L. Gavaghan, Catrin Hasselgren Arnby, Cecilia Kankkonen, Nan Albertson:
Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models. J. Comput. Aided Mol. Des. 21(10-11): 559-573 (2007) - [j3]Scott Boyer, Catrin Hasselgren Arnby, Lars Carlsson, James Smith, Viktor Stein, Robert C. Glen:
Reaction Site Mapping of Xenobiotic Biotransformations. J. Chem. Inf. Model. 47(2): 583-590 (2007) - 2006
- [j2]Jordi Mestres, Lidia Martín-Couce, Elisabet Gregori-Puigjané, Montserrat Cases, Scott Boyer:
Ligand-Based Approach to In Silico Pharmacology: Nuclear Receptor Profiling. J. Chem. Inf. Model. 46(6): 2725-2736 (2006) - 2005
- [c1]Hans-Peter Eich, Guillermo de la Calle, Carlos Díaz, Scott Boyer, A. S. Peña, Bruno G. Loos, Peter Ghazal, Inge Bernstein:
Practical Approaches to the Development of Biomedical Informatics: the INFOBIOMED Network of Excellence. MIE 2005: 39-44 - 2002
- [j1]Scott Boyer, Ismael Zamora:
New methods in predictive metabolism. J. Comput. Aided Mol. Des. 16(5-6): 403-413 (2002)
Coauthor Index
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