Scott Boyer

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

Ulf Norinder, Lars Carlsson, Scott Boyer et al. · Journal of Chemical Information and Modeling · 2014 · 201 citations

Applicability Domain Determination, Engineering, Modeling Method +19

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Kamel Mansouri, Nicole Kleinstreuer, Ahmed M. Abdelaziz et al. · Environmental Health Perspectives · 2020 · 199 citations · Full text

Circular fingerprints: flexible molecular descriptors with applications from physical chemistry to ADME.

Robert C Glem, Andreas Bender, Catrin Hasselgren Arnby et al. · PubMed · 2006 · 189 citations

Engineering, Hit Identification, Molecular Biology +17

Use of in silico systems and expert knowledge for structure-based assessment of potentially mutagenic impurities

Andreas Sutter, Alexander Amberg, Scott Boyer et al. · Regulatory Toxicology and Pharmacology · 2013 · 123 citations

Expert Knowledge, Chemical Safety, Engineering +15

A crowdsourcing evaluation of the NIH chemical probes

Tudor I. Oprea, Cristian Bologa, Scott Boyer et al. · Nature Chemical Biology · 2009 · 112 citations · Full text

Engineering, Chemical Analysis, Data Science +5