Robert P. Sheridan
Orcid: 0000-0002-6549-1635
According to our database1,
Robert P. Sheridan
authored at least 56 papers
between 1987 and 2023.
Collaborative distances:
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Bibliography
2023
2022
Prediction Accuracy of Production ADMET Models as a Function of Version: Activity Cliffs Rule.
J. Chem. Inf. Model., 2022
Stability of Prediction in Production ADMET Models as a Function of Version: Why and When Predictions Change.
J. Chem. Inf. Model., 2022
2021
Light Gradient Boosting Machine as a Regression Method for Quantitative Structure-Activity Relationships.
CoRR, 2021
2020
J. Chem. Inf. Model., 2020
Correction to Extreme Gradient Boosting as a Method for Quantitative Structure-Activity Relationships.
J. Chem. Inf. Model., 2020
Experimental Error, Kurtosis, Activity Cliffs, and Methodology: What Limits the Predictivity of Quantitative Structure-Activity Relationship Models?
J. Chem. Inf. Model., 2020
J. Chem. Inf. Model., 2020
2019
Interpretation of QSAR Models by Coloring Atoms According to Changes in Predicted Activity: How Robust Is It?
J. Chem. Inf. Model., 2019
Building Quantitative Structure-Activity Relationship Models Using Bayesian Additive Regression Trees.
J. Chem. Inf. Model., 2019
CoRR, 2019
Bioinform., 2019
2017
Demystifying Multitask Deep Neural Networks for Quantitative Structure-Activity Relationships.
J. Chem. Inf. Model., October, 2017
2016
Extreme Gradient Boosting as a Method for Quantitative Structure-Activity Relationships.
J. Chem. Inf. Model., 2016
Debunking the Idea that Ligand Efficiency Indices Are Superior to pIC50 as QSAR Activities.
J. Chem. Inf. Model., 2016
2015
eCounterscreening: Using QSAR Predictions to Prioritize Testing for Off-Target Activities and Setting the Balance between Benefit and Risk.
J. Chem. Inf. Model., 2015
The Relative Importance of Domain Applicability Metrics for Estimating Prediction Errors in QSAR Varies with Training Set Diversity.
J. Chem. Inf. Model., 2015
J. Chem. Inf. Model., 2015
2014
J. Chem. Inf. Model., 2014
Global Quantitative Structure-Activity Relationship Models vs Selected Local Models as Predictors of Off-Target Activities for Project Compounds.
J. Chem. Inf. Model., 2014
2013
Using Random Forest To Model the Domain Applicability of Another Random Forest Model.
J. Chem. Inf. Model., 2013
Time-Split Cross-Validation as a Method for Estimating the Goodness of Prospective Prediction.
J. Chem. Inf. Model., 2013
2012
J. Chem. Inf. Model., 2012
Comparison of Random Forest and Pipeline Pilot Naïve Bayes in Prospective QSAR Predictions.
J. Chem. Inf. Model., 2012
2011
2010
Drug-like Density: A Method of Quantifying the "Bindability" of a Protein Target Based on a Very Large Set of Pockets and Drug-like Ligands from the Protein Data Bank.
J. Chem. Inf. Model., 2010
2009
Generating hypotheses about molecular structure-activity relationships (SARs) by solving an optimization problem.
Stat. Anal. Data Min., 2009
QSAR Models for Predicting the Similarity in Binding Profiles for Pairs of Protein Kinases and the Variation of Models between Experimental Data Sets.
J. Chem. Inf. Model., 2009
2008
Alternative Global Goodness Metrics and Sensitivity Analysis: Heuristics to Check the Robustness of Conclusions from Studies Comparing Virtual Screening Methods.
J. Chem. Inf. Model., 2008
Multiple protein structures and multiple ligands: effects on the apparent goodness of virtual screening results.
J. Comput. Aided Mol. Des., 2008
2007
PLoS Comput. Biol., 2007
J. Chem. Inf. Model., 2007
2006
J. Chem. Inf. Model., 2006
2005
J. Chem. Inf. Model., 2005
Reagent Selector: Using Synthon Analysis to Visualize Reagent Properties and Assist in Combinatorial Library Design.
J. Chem. Inf. Model., 2005
Enhanced Virtual Screening by Combined Use of Two Docking Methods: Getting the Most on a Limited Budget.
J. Chem. Inf. Model., 2005
2004
Calculating Similarities between Biological Activities in the MDL Drug Data Report Database.
J. Chem. Inf. Model., 2004
Similarity to Molecules in the Training Set Is a Good Discriminator for Prediction Accuracy in QSAR.
J. Chem. Inf. Model., 2004
2003
Random Forest: A Classification and Regression Tool for Compound Classification and QSAR Modeling.
J. Chem. Inf. Comput. Sci., 2003
J. Chem. Inf. Comput. Sci., 2003
2002
J. Chem. Inf. Comput. Sci., 2002
2001
Protocols for Bridging the Peptide to Nonpeptide Gap in Topological Similarity Searches.
J. Chem. Inf. Comput. Sci., 2001
2000
The Centroid Approximation for Mixtures: Calculating Similarity and Deriving Structure-Activity Relationships.
J. Chem. Inf. Comput. Sci., 2000
1998
A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules.
J. Chem. Inf. Comput. Sci., 1998
1996
J. Chem. Inf. Comput. Sci., 1996
J. Chem. Inf. Comput. Sci., 1996
1995
J. Chem. Inf. Comput. Sci., 1995
1994
J. Comput. Aided Mol. Des., 1994
FLOG: A system to select 'quasi-flexible' ligands complementary to a receptor of known three-dimensional structure.
J. Comput. Aided Mol. Des., 1994
J. Comput. Aided Mol. Des., 1994
1993
PATTY: A programmable atom type and language for automatic classification of atoms in molecular databases.
J. Chem. Inf. Comput. Sci., 1993
1989
J. Chem. Inf. Comput. Sci., 1989
Using CONCORD to construct a large database of three-dimensional coordinates from connection tables.
J. Chem. Inf. Comput. Sci., 1989
1987
J. Comput. Aided Mol. Des., 1987