Progress in predicting human ADME parameters in silico von Ekins, Sean, Waller, Chris L, Swaan, Peter W, Cruciani, Gabriele, Wrighton, Steven A, Wikel, James H

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Using Open Source Computational Tools for Predicting Human Metabolic Stability and Additional Absorption, Distribution, Metabolism, Excretion, and Toxicity Properties von GUPTA, Rishi R, GIFFORD, Eric M, LISTON, Ted, WALLER, Chris L, HOHMAN, Moses, BUNIN, Barry A, EKINS, Sean

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Shared Consensus Machine Learning Models for Predicting Blood Stage Malaria Inhibition von Verras, Andreas, Waller, Chris L, Gedeck, Peter, Green, Darren V. S, Kogej, Thierry, Raichurkar, Anandkumar, Panda, Manoranjan, Shelat, Anang A, Clark, Julie, Guy, R. Kiplin, Papadatos, George, Burrows, Jeremy

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Four disruptive strategies for removing drug discovery bottlenecks von Ekins, Sean, Waller, Chris L., Bradley, Mary P., Clark, Alex M., Williams, Antony J.

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Fragment Library Design: Using Cheminformatics and Expert Chemists to Fill Gaps in Existing Fragment Libraries von Kutchukian, Peter S., So, Sung-Sau, Fischer, Christian, Waller, Chris L.

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Chemistry, information and Frank: a tribute to Frank Brown von Agrafiotis, Dimitris K., Holloway, M. Katharine, Johnson, Scott Arne, Reynolds, Charles H., Stouch, Terry Richard, Tropsha, Alexander, Waller, Chris L.

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Data to Decisions: Creating a Culture of Model-Driven Drug Discovery von Brown, Frank K., Kopti, Farida, Chang, Charlie (Zhenyu), Johnson, Scott A., Glick, Meir, Waller, Chris L.

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Three-Dimensional Quantitative Structure-Activity Relationships of Dioxins and Dioxin-like Compounds: Model Validation and Ah Receptor Characterization von Waller, Chris L, McKinney, James D

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Strategies to support drug discovery through integration of systems and data von Waller, Chris L., Shah, Ajay, Nolte, Matthias

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

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Chemical Space: Missing Pieces in Cheminformatics von Ekins, Sean, Gupta, Rishi R., Gifford, Eric, Bunin, Barry A., Waller, Chris L.

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Polychlorinated Biphenyls as Hormonally Active Structural Analogues von McKinney, James D., Waller, Chris L.

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Comparative molecular field analysis of polyhalogenated dibenzo-p-dioxins, dibenzofurans, and biphenyls von Waller, Chris L, McKinney, James D

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VALIDATE:  A New Method for the Receptor-Based Prediction of Binding Affinities of Novel Ligands von Head, Richard D, Smythe, Mark L, Oprea, Tudor I, Waller, Chris L, Green, Stuart M, Marshall, Garland R

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Ligand-Based Identification of Environmental Estrogens von Waller, Chris L, Oprea, Tudor I, Chae, Kun, Park, Hee-Kyoung, Korach, Kenneth S, Laws, Susan C, Wiese, Thomas E, Kelce, William R, Gray, L. Earl

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Three-dimensional QSAR of human immunodeficiency virus (I) protease inhibitors. 1. A CoMFA study employing experimentally-determined alignment rules von Waller, Chris L, Oprea, Tudor I, Giolitti, Alessandro, Marshall, Garland R

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Polarizability Fields for Use in Three-Dimensional Quantitative Structure−Activity Relationship (3D-QSAR) von Bradley, Mary, Waller, Chris L

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Three-Dimensional Quantitative Structure–Activity Relationships for Androgen Receptor Ligands von Waller, Chris L., Juma, Booker W., Gray, Jr, L.Earl, Kelce, William R.

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Using Three-Dimensional Quantitative Structure-Activity Relationships to Examine Estrogen Receptor Binding Affinities of Polychlorinated Hydroxybiphenyls von Waller, Chris L., Minor, Deborah L., McKinney, James D.

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Three-dimensional quantitative structure-activity relationship of human immunodeficiency virus (I) protease inhibitors. 2. Predictive power using limited exploration of alternate b... von Oprea, Tudor I, Waller, Chris L, Marshall, Garland R

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