Robert C. Glen
Orcid: 0000-0003-1759-2914
According to our database1,
Robert C. Glen
authored at least 65 papers
between 1992 and 2021.
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Bibliography
2021
Structure-based identification of dual ligands at the A<sub>2A</sub>R and PDE10A with anti-proliferative effects in lung cancer cell-lines.
J. Cheminformatics, 2021
BMC Bioinform., 2021
2020
Validating the validation: reanalyzing a large-scale comparison of deep learning and machine learning models for bioactivity prediction.
J. Comput. Aided Mol. Des., 2020
2019
The nPYc-Toolbox, a Python module for the pre-processing, quality-control and analysis of metabolic profiling datasets.
Bioinform., 2019
SPUTNIK: an R package for filtering of spatially related peaks in mass spectrometry imaging data.
Bioinform., 2019
2017
Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases.
J. Cheminformatics, 2017
Variational autoencoders for tissue heterogeneity exploration from (almost) no preprocessed mass spectrometry imaging data.
CoRR, 2017
2015
J. Cheminformatics, 2015
Chemically Aware Model Builder (camb): an R package for property and bioactivity modelling of small molecules.
J. Cheminformatics, 2015
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling.
J. Cheminformatics, 2015
J. Cheminformatics, 2015
2014
How Diverse Are Diversity Assessment Methods? A Comparative Analysis and Benchmarking of Molecular Descriptor Space.
J. Chem. Inf. Model., 2014
Erratum for "In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naı̈ve Bayes and Parzen-Rosenblatt Window".
J. Chem. Inf. Model., 2014
Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers.
J. Cheminformatics, 2014
Proceedings of the 9th IEEE Conference on Visual Analytics Science and Technology, 2014
2013
Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis.
J. Chem. Inf. Model., 2013
In Silico Target Predictions: Defining a Benchmarking Data Set and Comparison of Performance of the Multiclass Naïve Bayes and Parzen-Rosenblatt Window.
J. Chem. Inf. Model., 2013
FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes.
J. Chem. Inf. Model., 2013
J. Chem. Inf. Model., 2013
Chemogenomics Approaches to Rationalizing the Mode-of-Action of Traditional Chinese and Ayurvedic Medicines.
J. Chem. Inf. Model., 2013
J. Cheminformatics, 2013
J. Cheminformatics, 2013
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules.
J. Cheminformatics, 2013
2012
J. Chem. Inf. Model., 2012
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms.
J. Chem. Inf. Model., 2012
Probabilistic classifier: generated using randomised sub-sampling of the feature space.
J. Cheminformatics, 2012
Winnow based identification of potent hERG inhibitors in silico: comparative assessment on different datasets.
J. Cheminformatics, 2012
J. Comput. Aided Mol. Des., 2012
2011
P-glycoprotein Substrate Models Using Support Vector Machines Based on a Comprehensive Data set.
J. Chem. Inf. Model., 2011
J. Chem. Inf. Model., 2011
J. Chem. Inf. Model., 2011
J. Chem. Inf. Model., 2011
2010
IEEE Trans. Neural Networks, 2010
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse.
BMC Bioinform., 2010
2009
2008
Solubility Challenge: Can You Predict Solubilities of 32 Molecules Using a Database of 100 Reliable Measurements?
J. Chem. Inf. Model., 2008
2007
Support vector inductive logic programming outperforms the naive Bayes classifier and inductive logic programming for the classification of bioactive chemical compounds.
J. Comput. Aided Mol. Des., 2007
2006
Characterizing Bitterness: Identification of Key Structural Features and Development of a Classification Model.
J. Chem. Inf. Model., 2006
Analysis of Activity Space by Fragment Fingerprints, 2D Descriptors, and Multitarget Dependent Transformation of 2D Descriptors.
J. Chem. Inf. Model., 2006
Dynamic Complexity of Chaotic Transitions in High-Dimensional Classical Dynamics: Leu-Enkephalin Folding.
Proceedings of the Computational Life Sciences II, 2006
Proceedings of the Computational Life Sciences II, 2006
2005
General Melting Point Prediction Based on a Diverse Compound Data Set and Artificial Neural Networks.
J. Chem. Inf. Model., 2005
A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication.
J. Chem. Inf. Model., 2005
Proceedings of the Computational Life Sciences, First International Symposium, 2005
2004
Similarity Searching of Chemical Databases Using Atom Environment Descriptors (MOLPRINT 2D): Evaluation of Performance.
J. Chem. Inf. Model., 2004
Molecular Similarity Searching Using Atom Environments, Information-Based Feature Selection, and a Naïve Bayesian Classifier.
J. Chem. Inf. Model., 2004
Quantifying the complexity of chaos in multibasin multidimensional dynamics of molecular systems.
Complex., 2004
Molecular surface point environments for virtual screening and the elucidation of binding patterns (MOLPRINT).
Proceedings of the IEEE International Conference on Systems, 2004
2003
J. Chem. Inf. Comput. Sci., 2003
2002
J. Chem. Inf. Comput. Sci., 2002
1997
VESPA: A new, fast approach to electrostatic potential-derived atomic charges from semiempirical methods.
J. Comput. Chem., 1997
1995
J. Comput. Aided Mol. Des., 1995
J. Comput. Aided Mol. Des., 1995
1994
Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching.
J. Chem. Inf. Comput. Sci., 1994
J. Chem. Inf. Comput. Sci., 1994
J. Comput. Aided Mol. Des., 1994
1993
Searching Databases of Two-Dimensional and Three-Dimensional Chemical Structures Using Genetic Algorithms.
Proceedings of the 5th International Conference on Genetic Algorithms, 1993
1992
Applications of rule-induction in the derivation of quantitative structure-activity relationships.
J. Comput. Aided Mol. Des., 1992