David J. Diller

发表

Library Fingerprints: A Novel Approach to the Screening of Virtual Libraries

Anthony E. Klon, David J. Diller, A. Klon, 2007, J. Chem. Inf. Model..

A critical evaluation of several global optimization algorithms for the purpose of molecular docking

David J. Diller, Christophe L. M. J. Verlinde, 1999 .

Technique for Generating Three-Dimensional Alignments of Multiple Ligands from One-Dimensional Alignments

Xiaoming Xie, Anthony E. Klon, David J. Diller, 2008, J. Chem. Inf. Model..

Computational ADME/Tox Modeling: Aiding Understanding and Enhancing Decision Making in Drug Design

David J. Diller, Robert K. DeLisle, Jeffery F. Lowrie, 2005 .

Representation and reasoning for DAML-based policy and domain services in KAoS and nomads

Brett Benyo, Maarten Sierhuis, Jeffrey M. Bradshaw, 2003, AAMAS '03.

Improved Naïve Bayesian Modeling of Numerical Data for Absorption, Distribution, Metabolism and Excretion (ADME) Property Prediction

Anthony E. Klon, David J. Diller, Jeffrey F. Lowrie, 2006, J. Chem. Inf. Model..

Toward DAML-based policy enforcement for semantic data transformation and filtering in multi-agent systems

Brett Benyo, Jeffrey M. Bradshaw, Paul T. Groth, 2003, AAMAS '03.

Understanding hERG inhibition with QSAR models based on a one-dimensional molecular representation

David J. Diller, Doug W. Hobbs, D. Diller, 2007, J. Comput. Aided Mol. Des..

Use of Catalyst Pharmacophore Models for Screening of Large Combinatorial Libraries

David J. Diller, Tariq A. Andrea, Evan A. Hecker, 2002, J. Chem. Inf. Comput. Sci..

PeptideNavigator: An interactive tool for exploring large and complex data sets generated during peptide-based drug design projects

David J. Diller, Kyle I. Diller, Alexander S. Bayden, 2018, Comput. Biol. Medicine.

Avalanche for shape and feature-based virtual screening with 3D alignment

William J. Welsh, David J. Diller, Nancy D. Connell, 2015, Journal of Computer-Aided Molecular Design.

VSViewer3D: A Tool for Interactive Data Mining of Three-Dimensional Virtual Screening Data

David J. Diller, Kyle I. Diller, D. Diller, 2014, J. Chem. Inf. Model..

Computation of the physio‐chemical properties and data mining of large molecular collections

Kenneth M. Merz, Steven L. Dixon, Ailan Cheng, 2002, J. Comput. Chem..

DAML-Based Policy Enforcement for Semantic Data Transformation and Filtering in Multi-agent Systems

Brett Benyo, Jeffrey M. Bradshaw, Matt Johnson, 2003, CEEMAS.

A critical evaluation of several global optimization algorithms for the purpose of molecular docking

David J. Diller, Christophe L. M. J. Verlinde, C. Verlinde, 1999, J. Comput. Chem..

Insights for Predicting Blood-Brain Barrier Penetration of CNS Targeted Molecules Using QSPR Approaches

Edward H. Kerns, Li Di, Rajiah A. Denny, 2010, J. Chem. Inf. Model..

Can we separate active from inactive conformations?

Kenneth M. Merz, David J. Diller, K. Merz, 2002, J. Comput. Aided Mol. Des..

In Silico hERG Modeling: Challenges and Progress

David J. Diller, D. Diller, 2009 .