R. Clark

发表

Consensus scoring for ligand/protein interactions.

R. Clark, A. Strizhev, J. Leonard, 2002, Journal of molecular graphics & modelling.

Predicting pKa by Molecular Tree Structured Fingerprints and PLS.

R. Glen, R. Clark, L. Xing, 2003 .

Prospective ligand- and target-based 3D QSAR: state of the art 2008.

R. Clark, 2009, Current topics in medicinal chemistry.

Virtual Compound Libraries: A New Approach to Decision Making in Molecular Discovery Research

Robert D. Clark, Richard D. Cramer, Farhad Soltanshahi, 1998, J. Chem. Inf. Comput. Sci..

Influences of phytocannabinoids on drug-drug interactions and their clinical implications.

N. Davies, R. Löbenberg, A. El-Kadi, 2020, Pharmacology & therapeutics.

OptDesign: Extending Optimizable k-Dissimilarity Selection to Combinatorial Library Design

Robert D. Clark, Farhad Soltanshahi, Julia Kar, 2003, J. Chem. Inf. Comput. Sci..

Putting deep learning in perspective for pest management scientists

Robert D Clark, R. Clark, 2020, Pest management science.

Using beta binomials to estimate classification uncertainty for ensemble models

Robert Fraczkiewicz, Marvin Waldman, Robert D. Clark, 2014, Journal of Cheminformatics.

Statistical variation in progressive scrambling

Peter C. Fox, Robert D. Clark, Peter C. Fox, 2004, J. Comput. Aided Mol. Des..

Visualizing substructural fingerprints.

D. E. Patterson, R. Clark, J. F. Blake, 2000, Journal of molecular graphics & modelling.

Tales from the war on error: the art and science of curating QSAR data

Robert Fraczkiewicz, Marvin Waldman, Robert D. Clark, 2015, Journal of Computer-Aided Molecular Design.

Balancing Representativeness Against Diversity using Optimizable K-Dissimilarity and Hierarchical Clustering

Robert D. Clark, William J. Langton, R. Clark, 1998, J. Chem. Inf. Comput. Sci..

Through the looking glass: adventures in kinase inhibitor design and optimization.

R. Clark, 2013, Journal of medicinal chemistry.

DPRESS: Localizing estimates of predictive uncertainty

Robert D. Clark, R. Clark, 2009, J. Cheminformatics.

Best of Both Worlds: Combining Pharma Data and State of the Art Modeling Technology To Improve in Silico pKa Prediction

Andreas H. Göller, Robert Fraczkiewicz, Robert D. Clark, 2015, J. Chem. Inf. Model..

Predicting pKa by Molecular Tree Structured Fingerprints and PLS

Robert C. Glen, Li Xing, Robert D. Clark, 2003, J. Chem. Inf. Comput. Sci..

Predicting drug pharmacokinetic properties using molecular interaction fields and SIMCA

Robert D. Clark, Philippa R. N. Wolohan, R. Clark, 2003, J. Comput. Aided Mol. Des..

Physiologically Based Pharmacokinetic Modeling in Lead Optimization. 2. Rational Bioavailability Design by Global Sensitivity Analysis To Identify Properties Affecting Bioavailability.

E. Martin, I. Haworth, P. Daga, 2018, Molecular pharmaceutics.

A knowledge-based approach to generating diverse but energetically representative ensembles of ligand conformers

Brian B. Masek, Robert D. Clark, Roman J. Dorfman, 2008, J. Comput. Aided Mol. Des..

SYBYL Line Notation (SLN): A Single Notation To Represent Chemical Structures, Queries, Reactions, and Virtual Libraries

Robert D. Clark, R. Webster Homer, Jon Swanson, 2008, J. Chem. Inf. Model..

Boosted leave-many-out cross-validation: the effect of training and test set diversity on PLS statistics

Robert D. Clark, R. Clark, 2003, J. Comput. Aided Mol. Des..

OptiSim: An Extended Dissimilarity Selection Method for Finding Diverse Representative Subsets

Robert D. Clark, R. Clark, 1997, J. Chem. Inf. Comput. Sci..

11th German Conference on Chemoinformatics (GCC 2015)

Timothy Clark, Jonathan W. Essex, Peter Kolb, 2016, J. Cheminformatics.

GALAHAD: 1. Pharmacophore identification by hypermolecular alignment of ligands in 3D

Peter Willett, Nicola J. Richmond, Robert D. Clark, 2006, J. Comput. Aided Mol. Des..

Alignment of three-dimensional molecules using an image recognition algorithm.

Peter Willett, Nicola J. Richmond, Nicola J Richmond, 2004, Journal of molecular graphics & modelling.

Design and tests of prospective property predictions for novel antimalarial 2-aminopropylaminoquinolones

Robert D. Clark, Walter S. Woltosz, Michael S. Lawless, 2020, Journal of Computer-Aided Molecular Design.

Using a staged multi-objective optimization approach to find selective pharmacophore models

Robert D. Clark, Edmond J. Abrahamian, R. Clark, 2009, J. Comput. Aided Mol. Des..

A ligand’s-eye view of protein binding

Robert D. Clark, R. Clark, 2008, J. Comput. Aided Mol. Des..

A marriage made in torsional space: using GALAHAD models to drive pharmacophore multiplet searches

Robert D. Clark, Jennifer K. Shepphird, R. Clark, 2007, J. Comput. Aided Mol. Des..

Managing bias in ROC curves

Robert D. Clark, Daniel J. Webster-Clark, R. Clark, 2008, J. Comput. Aided Mol. Des..

Parameterization and Conformational Sampling Effects in Pharmacophore Multiplet Searching

Robert D. Clark, Philippa R. N. Wolohan, Edmond J. Abrahamian, 2008, J. Chem. Inf. Model..

Lions and tigers and bears, oh my! Three barriers to progress in computer-aided molecular design

Marvin Waldman, Robert D. Clark, M. Waldman, 2011, Journal of Computer-Aided Molecular Design.

Efficient Generation, Storage, and Manipulation of Fully Flexible Pharmacophore Multiplets and Their Use in 3-D Similarity Searching

Robert D. Clark, Edmond J. Abrahamian, Peter C. Fox, 2003, J. Chem. Inf. Comput. Sci..

Modelling in vitro hepatotoxicity using molecular interaction fields and SIMCA.

Philippa R. N. Wolohan, Robert D Clark, R. Clark, 2004, Journal of molecular graphics & modelling.