C. Waller

发表

Chemical Space: Missing Pieces in Cheminformatics

Barry A. Bunin, E. Gifford, S. Ekins, 2010, Pharmaceutical Research.

The practice of structure activity relationships (SAR) in toxicology.

M. C. Newman, A. Richard, M. Newman, 2000, Toxicological sciences : an official journal of the Society of Toxicology.

VALIDATE: A New Method for the Receptor-Based Prediction of Binding Affinities of Novel Ligands

Garland R. Marshall, Tudor I. Oprea, Chris L. Waller, 1996 .

Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties

Sean Ekins, Barry A. Bunin, Moses Hohman, 2010, Drug Metabolism and Disposition.

Prediction of drug-like molecular properties: modeling cytochrome p450 interactions.

E. Gifford, S. Schefzick, C. Waller, 2004, Methods in molecular biology.

A crowdsourcing evaluation of the NIH chemical probes.

Tudor I. Oprea, Scott Boyer, Herbert Waldmann, 2009, Nature chemical biology.

Erratum: A crowdsourcing evaluation of the NIH chemical probes

Yvonne C. Martin, Roy J. Vaz, R. Glen, 2009 .

Effects of [(N-alkyl-1,3-dihydro-1-oxoisoindolin-5-yl)oxy]alkanoic acids on chloride transport in primary astroglial cultures.

S. Wyrick, C. Waller, H. M. Park, 1994, Journal of pharmaceutical sciences.

Theoretical and Practical Aspects of Three‐Dimensional Quantitative Structure‐Activity Relationships

Tudor I. Oprea, T. Oprea, C. Waller, 2007 .

PCBs and dioxins/furans in attic dust collected near former PCB production and secondary copper facilities in Sauget, IL

C. Waller, L. Feng, Jorge Gonzalez, 2011 .

Recent advances in molecular diversity

Chris L Waller, C. Waller, 2002, J. Comput. Aided Mol. Des..

Prediction of Drug-Like Molecular Properties

Chris L. Waller, Eric Gifford, Mehran Jalaie, 2004 .

Three-dimensional quantitative structure-activity relationships of dioxins and dioxin-like compounds: model validation and Ah receptor characterization.

C. Waller, J. McKinney, J D McKinney, 1995, Chemical research in toxicology.

Theoretical investigation into the potential of halogenated methanes to undergo reductive metabolism

Chris L. Waller, James D. McKinney, C. Waller, 1993, J. Comput. Chem..

Percutaneous absorption and disposition of [14C]chlordecone in young and adult female rats.

C. Waller, A. Heatherington, H. L. Fisher, 1998, Environmental research.

Polychlorinated biphenyls as hormonally active structural analogues.

C. Waller, J. McKinney, James D. McKinneyl, 1994, Environmental health perspectives.

Molecular determinants of hormone mimicry: halogenated aromatic hydrocarbon environmental agents.

C. Waller, J. McKinney, James D. McKinney, 1998, Journal of toxicology and environmental health. Part B, Critical reviews.

A pharmacokinetic model of anaerobic in vitro carbon tetrachloride metabolism.

J. W. Allis, M. Andersen, J. E. Simmons, 1996, Chemico-biological interactions.

Progress in predicting human ADME parameters in silico.

S. Ekins, P. Swaan, J. Wikel, 2000, Journal of pharmacological and toxicological methods.

Four disruptive strategies for removing drug discovery bottlenecks.

Sean Ekins, Alex M Clark, Chris L Waller, 2013, Drug discovery today.

Polarizability Fields for Use in Three-Dimensional Quantitative Structure-Activity Relationship (3D-QSAR)

Chris L. Waller, Mary P. Bradley, C. Waller, 2001, J. Chem. Inf. Comput. Sci..

Comparative molecular field analysis of polyhalogenated dibenzo-p-dioxins, dibenzofurans, and biphenyls.

C. Waller, J. McKinney, J D McKinney, 1992, Journal of medicinal chemistry.

Development and Validation of a Novel Variable Selection Technique with Application to Multidimensional Quantitative Structure-Activity Relationship Studies

Chris L. Waller, Mary P. Bradley, C. Waller, 1999, J. Chem. Inf. Comput. Sci..

Using three-dimensional quantitative structure-activity relationships to examine estrogen receptor binding affinities of polychlorinated hydroxybiphenyls.

D. Minor, C. Waller, J. McKinney, 1995, Environmental health perspectives.

A Comparative QSAR Study Using CoMFA, HQSAR, and FRED/SKEYS Paradigms for Estrogen Receptor Binding Affinities of Structurally Diverse Compounds

Chris L. Waller, C. Waller, 2004, J. Chem. Inf. Model..

Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules.

Tudor I. Oprea, T I Oprea, G R Marshall, 1993, Journal of medicinal chemistry.

Modeling the cytochrome P450-mediated metabolism of chlorinated volatile organic compounds.

C. Waller, J. McKinney, M. Evans, 1996, Drug metabolism and disposition: the biological fate of chemicals.

Increased [3H]phorbol ester binding in rat cerebellar granule cells and inhibition of 45Ca2+ sequestration in rat cerebellum by polychlorinated diphenyl ether congeners and analogs: structure-activity relationships.

H. Tilson, T. Ward, C. Waller, 1996, Toxicology and Applied Pharmacology.

Fragment library design: using cheminformatics and expert chemists to fill gaps in existing fragment libraries.

Christian Fischer, Peter S Kutchukian, Chris L Waller, 2015, Methods in molecular biology.

Three-dimensional quantitative structure--activity relationships for androgen receptor ligands.

L. Gray, W. Kelce, C. Waller, 1996, Toxicology and applied pharmacology.

Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition

Julie Clark, Andreas Verras, Chris L. Waller, 2017, J. Chem. Inf. Model..

Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate binding modes.

Tudor I. Oprea, T I Oprea, G R Marshall, 1994, Journal of medicinal chemistry.

Data is the currency of R&D, and that currency is now generated and traded globally.

E. Maliski, F. Brown, C. Waller, 2010, Current opinion in drug discovery & development.

Conformational Analysis, Molecular Modeling, and Quantitative Structure–Activity Relationship Studies of Agents for the Inhibition of Astrocytic Chloride Transport

S. Wyrick, Hee-Moon Park, C. Waller, 2004, Pharmaceutical Research.

Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining

Chris L. Waller, Sung Jin Cho, Alexander Tropsha, 1999, J. Chem. Inf. Comput. Sci..

Strategies to support drug discovery through integration of systems and data.

Chris L Waller, Ajay Shah, Matthias Nolte, 2007, Drug discovery today.

Ligand-based identification of environmental estrogens.

Tudor I. Oprea, T I Oprea, K. Chae, 1996, Chemical research in toxicology.

Development and Validation of a Novel Variable Selection Technique with Application to Multidimensional Quantitative Structure—Activity Relationship Studies.

Chris L. Waller, Mary P. Bradley, C. Waller, 1999 .

Three‐Dimensional QSAR of Human Immunodeficiency Virus (I) Protease Inhibitors. Part 1. A CoMFA Study Employing Experimentally‐Determined Alignment Rules.

Tudor I. Oprea, G. Marshall, C. Waller, 1994 .