Scott Boyer

20 papers Journal 18Unranked 2
YearRankTypeTitle / Venue / Authors
2015 J jnl
The application of conformal prediction to the drug discovery process.
Ann. Math. Artif. Intell.
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
2014 J jnl
Assessment of Machine Learning Reliability Methods for Quantifying the Applicability Domain of QSAR Regression Models.
J. Chem. Inf. Model.
Marko Toplak, Rok Mocnik, Matija Polajnar, Zoran Bosnic, Lars Carlsson, Catrin Hasselgren Arnby, Janez Demsar, Scott Boyer, Blaz Zupan, Jonna C. Stålring
2014 J jnl
Choosing Feature Selection and Learning Algorithms in QSAR.
J. Chem. Inf. Model.
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
2014 J jnl
Computational Derivation of Structural Alerts from Large Toxicology Data Sets.
J. Chem. Inf. Model.
Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer
2014 J jnl
Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination.
J. Chem. Inf. Model.
Ulf Norinder, Lars Carlsson, Scott Boyer, Martin Eklund
2013 J jnl
Localized Heuristic Inverse Quantitative Structure Activity Relationship with Bulk Descriptors Using Numerical Gradients.
J. Chem. Inf. Model.
Jonna C. Stålring, Pedro Almeida, Lars Carlsson, Ernst Ahlberg Helgee, Catrin Hasselgren Arnby, Scott Boyer
2012 — conf
Application of Conformal Prediction in QSAR.
AIAI (2)
Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson
2012 J jnl
Automatic Filtering and Substantiation of Drug Safety Signals.
PLoS Comput. Biol.
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
2011 J jnl
AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment.
J. Cheminformatics
Jonna C. Stålring, Lars Carlsson, Pedro Almeida, Scott Boyer
2011 J jnl
Integrated Decision Support for Assessing Chemical Liabilities.
J. Chem. Inf. Model.
Ola Spjuth, Martin Eklund, Ernst Ahlberg Helgee, Scott Boyer, Lars Carlsson
2010 J jnl
Evaluation of Quantitative Structure-Activity Relationship Modeling Strategies: Local and Global Models.
J. Chem. Inf. Model.
Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer, Ulf Norinder
2010 J jnl
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.
BMC Bioinform.
Lars Carlsson, Ola Spjuth, Samuel E. Adams, Robert C. Glen, Scott Boyer
2009 J jnl
A Method for Automated Molecular Optimization Applied to Ames Mutagenicity Data.
J. Chem. Inf. Model.
Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer
2009 J jnl
Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data.
J. Chem. Inf. Model.
Lars Carlsson, Ernst Ahlberg Helgee, Scott Boyer
2007 J jnl
Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data.
J. Comput. Aided Mol. Des.
Claire L. Gavaghan, Catrin Hasselgren Arnby, Niklas Blomberg, Gert Strandlund, Scott Boyer
2007 J jnl
Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models.
J. Comput. Aided Mol. Des.
Matthew Paul Gleeson, Andrew M. Davis, Kamaldeep K. Chohan, Stuart Paine, Scott Boyer, Claire L. Gavaghan, Catrin Hasselgren Arnby, Cecilia Kankkonen, Nan Albertson
2007 J jnl
Reaction Site Mapping of Xenobiotic Biotransformations.
J. Chem. Inf. Model.
Scott Boyer, Catrin Hasselgren Arnby, Lars Carlsson, James Smith, Viktor Stein, Robert C. Glen
2006 J jnl
Ligand-Based Approach to In Silico Pharmacology: Nuclear Receptor Profiling.
J. Chem. Inf. Model.
Jordi Mestres, Lidia Martín-Couce, Elisabet Gregori-Puigjané, Montserrat Cases, Scott Boyer
2005 — conf
Practical Approaches to the Development of Biomedical Informatics: the INFOBIOMED Network of Excellence.
MIE
Hans-Peter Eich, Guillermo de la Calle, Carlos Díaz, Scott Boyer, A. S. Peña, Bruno G. Loos, Peter Ghazal, Inge Bernstein
2002 J jnl
New methods in predictive metabolism.
J. Comput. Aided Mol. Des.
Scott Boyer, Ismael Zamora