David J. Diller

Publication Activity (10 Years)

Years Active: 1999-2018
Publications (10 Years): 2

Top Topics

Chemical Structures

Similarity Searching

Virtual Screening

Interactive Data Mining

Top Venues

Comput. Biol. Medicine

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Kyle I. Diller, Alexander S. Bayden, Joseph Audie, David J. Diller
PeptideNavigator: An interactive tool for exploring large and complex data sets generated during peptide-based drug design projects. Comput. Biol. Medicine 92 (2018)
David J. Diller, Nancy D. Connell, William J. Welsh
Avalanche for shape and feature-based virtual screening with 3D alignment. J. Comput. Aided Mol. Des. 29 (11) (2015)
Kyle I. Diller, David J. Diller
VSViewer3D: A Tool for Interactive Data Mining of Three-Dimensional Virtual Screening Data. J. Chem. Inf. Model. 54 (12) (2014)
Kristi Yi Fan, Raymond J. Unwalla, Rajiah A. Denny, Li Di, Edward H. Kerns, David J. Diller, Christine Humblet
Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches. J. Chem. Inf. Model. 50 (6) (2010)
Andrei Anghelescu, Robert Kirk DeLisle, Jeffrey F. Lowrie, Anthony E. Klon, Xiaoming Xie, David J. Diller
Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments. J. Chem. Inf. Model. 48 (5) (2008)
Anthony E. Klon, David J. Diller
Library Fingerprints: A Novel Approach to the Screening of Virtual Libraries. J. Chem. Inf. Model. 47 (4) (2007)
David J. Diller, Doug W. Hobbs
Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation. J. Comput. Aided Mol. Des. 21 (7) (2007)
Anthony E. Klon, Jeffrey F. Lowrie, David J. Diller
Improved Naïve Bayesian Modeling of Numerical Data for Absorption, Distribution, Metabolism and Excretion (ADME) Property Prediction. J. Chem. Inf. Model. 46 (5) (2006)
Niranjan Suri, Jeffrey M. Bradshaw, Andrzej Uszok, Maggie R. Breedy, Marco M. Carvalho, Paul Groth, Renia Jeffers, Matt Johnson, Shriniwas Kulkarni, James Lott, Mark H. Burstein, Brett Benyo, David J. Diller
Toward DAML-based policy enforcement for semantic data transformation and filtering in multi-agent systems. AAMAS (2003)
Niranjan Suri, Jeffrey M. Bradshaw, Mark H. Burstein, Andrzej Uszok, Brett Benyo, Maggie R. Breedy, Marco M. Carvalho, David J. Diller, Renia Jeffers, Matt Johnson, Shriniwas Kulkarni, James Lott
DAML-Based Policy Enforcement for Semantic Data Transformation and Filtering in Multi-agent Systems. CEEMAS (2003)
Jeffrey M. Bradshaw, Andrzej Uszok, Renia Jeffers, Niranjan Suri, Patrick J. Hayes, Mark H. Burstein, Alessandro Acquisti, Brett Benyo, Maggie R. Breedy, Marco M. Carvalho, David J. Diller, Matt Johnson, Shriniwas Kulkarni, James Lott, Maarten Sierhuis, Ron van Hoof
Representation and reasoning for DAML-based policy and domain services in KAoS and nomads. AAMAS (2003)
Ailan Cheng, David J. Diller, Steven L. Dixon, William J. Egan, George Lauri, Kenneth M. Merz Jr.
Computation of the physio-chemical properties and data mining of large molecular collections. J. Comput. Chem. 23 (1) (2002)
Evan A. Hecker, Chaya Duraiswami, Tariq A. Andrea, David J. Diller
Use of Catalyst Pharmacophore Models for Screening of Large Combinatorial Libraries. J. Chem. Inf. Comput. Sci. 42 (5) (2002)
David J. Diller, Kenneth M. Merz Jr.
Can we separate active from inactive conformations? J. Comput. Aided Mol. Des. 16 (2) (2002)
David J. Diller, Christophe L. M. J. Verlinde
A critical evaluation of several global optimization algorithms for the purpose of molecular docking. J. Comput. Chem. 20 (16) (1999)