Scott Boyer

According to our database, Scott Boyer authored at least 20 papers between 2002 and 2015.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2015

The application of conformal prediction to the drug discovery process.

Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson

Ann. Math. Artif. Intell., 2015

2014

Assessment of Machine Learning Reliability Methods for Quantifying the Applicability Domain of QSAR Regression Models.

Marko Toplak, Rok Mocnik, Matija Polajnar, Zoran Bosnic, Lars Carlsson, Catrin Hasselgren Arnby, Janez Demsar, Scott Boyer, Blaz Zupan, Jonna C. Stålring

J. Chem. Inf. Model., 2014

Introducing Conformal Prediction in Predictive Modeling. A Transparent and Flexible Alternative to Applicability Domain Determination.

Ulf Norinder, Lars Carlsson, Scott Boyer, Martin Eklund

J. Chem. Inf. Model., 2014

Computational Derivation of Structural Alerts from Large Toxicology Data Sets.

Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer

J. Chem. Inf. Model., 2014

Choosing Feature Selection and Learning Algorithms in QSAR.

Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson

J. Chem. Inf. Model., 2014

2013

Localized Heuristic Inverse Quantitative Structure Activity Relationship with Bulk Descriptors Using Numerical Gradients.

Jonna C. Stålring, Pedro Almeida, Lars Carlsson, Ernst Ahlberg Helgee, Catrin Hasselgren Arnby, Scott Boyer

J. Chem. Inf. Model., 2013

2012

Automatic Filtering and Substantiation of Drug Safety Signals.

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

PLoS Comput. Biol., 2012

Application of Conformal Prediction in QSAR.

Martin Eklund, Ulf Norinder, Scott Boyer, Lars Carlsson

Proceedings of the Artificial Intelligence Applications and Innovations, 2012

2011

Integrated Decision Support for Assessing Chemical Liabilities.

Ola Spjuth, Martin Eklund, Ernst Ahlberg Helgee, Scott Boyer, Lars Carlsson

J. Chem. Inf. Model., 2011

AZOrange - High performance open source machine learning for QSAR modeling in a graphical programming environment.

Jonna C. Stålring, Lars Carlsson, Pedro Almeida, Scott Boyer

J. Cheminformatics, 2011

2010

Evaluation of Quantitative Structure-Activity Relationship Modeling Strategies: Local and Global Models.

Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer, Ulf Norinder

J. Chem. Inf. Model., 2010

Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.

Lars Carlsson, Ola Spjuth, Samuel E. Adams, Robert C. Glen, Scott Boyer

BMC Bioinform., 2010

2009

A Method for Automated Molecular Optimization Applied to Ames Mutagenicity Data.

Ernst Ahlberg Helgee, Lars Carlsson, Scott Boyer

J. Chem. Inf. Model., 2009

Interpretation of Nonlinear QSAR Models Applied to Ames Mutagenicity Data.

Lars Carlsson, Ernst Ahlberg Helgee, Scott Boyer

J. Chem. Inf. Model., 2009

2007

Reaction Site Mapping of Xenobiotic Biotransformations.

Scott Boyer, Catrin Hasselgren Arnby, Lars Carlsson, James Smith, Viktor Stein, Robert C. Glen

J. Chem. Inf. Model., 2007

Generation of in-silico cytochrome P450 1A2, 2C9, 2C19, 2D6, and 3A4 inhibition QSAR models.

Matthew Paul Gleeson, Andrew M. Davis, Kamaldeep K. Chohan, Stuart Paine, Scott Boyer, Claire L. Gavaghan, Catrin Hasselgren Arnby, Cecilia Kankkonen, Nan Albertson

J. Comput. Aided Mol. Des., 2007

Development, interpretation and temporal evaluation of a global QSAR of hERG electrophysiology screening data.

Claire L. Gavaghan, Catrin Hasselgren Arnby, Niklas Blomberg, Gert Strandlund, Scott Boyer

J. Comput. Aided Mol. Des., 2007

2006

Ligand-Based Approach to In Silico Pharmacology: Nuclear Receptor Profiling.

Jordi Mestres, Lidia Martín-Couce, Elisabet Gregori-Puigjané, Montserrat Cases, Scott Boyer

J. Chem. Inf. Model., 2006

2005

Practical Approaches to the Development of Biomedical Informatics: the INFOBIOMED Network of Excellence.

Hans-Peter Eich, Guillermo de la Calle, Carlos Díaz, Scott Boyer, A. S. Peña, Bruno G. Loos, Peter Ghazal, Inge Bernstein

Proceedings of the Connecting Medical Informatics and Bio-Informatics - Proceedings of MIE 2005, 2005

2002

New methods in predictive metabolism.

Scott Boyer, Ismael Zamora

J. Comput. Aided Mol. Des., 2002