Enriched phenotypes in rare variant carriers suggest pathogenic mechanisms in rare disease patients. - Fitzsimmons, Lane; Acosta, Maria T.; Adams, David R.; Afzali, Ben; Al-Beshri, Ali; Allenspach, Eric; Allworth, Aimee; Alvarez, Raquel L.; Alvey, Justin; Andrews, Ashley; Ashley, Euan A.; Bacino, Carlos A.; et al. (BioData Min., 2025)

The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks. - Kramer, Christian; Chodera, John D.; Damm-Ganamet, Kelly L.; Gilson, Michael K.; Guenther, Judith; Lessel, Uta F.; Lewis, Richard A.; Mobley, David L.; Nittinger, Eva; Pecina, Adam; Schapira, Matthieu; Walters, W. Patrick (J. Chem. Inf. Model., 2025)

PREFER: A New Predictive Modeling Framework for Molecular Discovery. - Lanini, Jessica; Santarossa, Gianluca; Sirockin, Finton; Lewis, Richard A.; Fechner, Nikolas; Misztela, Hubert; Lewis, Sarah; Maziarz, Krzysztof; Stanley, Megan; Segler, Marwin H. S.; Stiefl, Nikolaus; Schneider, Nadine (J. Chem. Inf. Model., 2023)

Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks. - Hamzic, Seid; Lewis, Richard A.; Desrayaud, Sandrine; Soylu, Cihan; Fortunato, Mike; Gerebtzoff, Grégori; Rodríguez-Pérez, Raquel (J. Chem. Inf. Model., 2022)

Best practices for repurposing studies. - Lewis, Richard A. (J. Comput. Aided Mol. Des., 2021)

D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. - Parks, Conor D.; Gaieb, Zied; Chiu, Michael; Yang, Huanwang; Shao, Chenghua; Walters, W. Patrick; Jansen, Johanna M.; McGaughey, Georgia B.; Lewis, Richard A.; Bembenek, Scott D.; Ameriks, Michael K.; Mirzadegan, Tara; et al. (J. Comput. Aided Mol. Des., 2020)

Artificial intelligence in chemistry and drug design. - Brown, Nathan; Ertl, Peter; Lewis, Richard A.; Luksch, Torsten; Reker, Daniel; Schneider, Nadine (J. Comput. Aided Mol. Des., 2020)

Advanced Editorial to announce a JCAMD Special Issue on Artificial Intelligence and Machine Learning. - Reker, Daniel; Lewis, Richard A. (J. Comput. Aided Mol. Des., 2019)

Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. - Sherborne, Bradley; Shanmugasundaram, Veerabahu; Cheng, Alan C.; Christ, Clara D.; DesJarlais, Renee L.; Duca, José S.; Lewis, Richard A.; Loughney, Deborah A.; Manas, Eric S.; McGaughey, Georgia B.; Peishoff, Catherine E.; Vlijmen, Herman van (J. Comput. Aided Mol. Des., 2016)

FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists. - Stiefl, Nikolaus; Gedeck, Peter; Chin, Donovan; Hunt, Peter; Lindvall, Mika K.; Spiegel, Katrin; Springer, Clayton; Biller, Scott; Buenemann, Christoph L.; Kanazawa, Takanori; Kato, Mitsunori; Lewis, Richard A.; et al. (J. Chem. Inf. Model., 2015)

Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma. - Landrum, Gregory A.; Lewis, Richard A.; Palmer, Andrew; Stiefl, Nikolaus; Vulpetti, Anna (J. Cheminformatics, 2011)

Comparison of Conformational Analysis Techniques To Generate Pharmacophore Hypotheses Using Catalyst. - Kristam, Rajendra; Gillet, Valerie J.; Lewis, Richard A.; Thorner, David A. (J. Chem. Inf. Model., 2005)

Applied Simulation Modeling. - Lewis, Richard A. (Technometrics, 2004)

Generation and Display of Activity-Weighted Chemical Hyperstructures. - Brown, Nathan; Willett, Peter; Wilton, David J.; Lewis, Richard A. (J. Chem. Inf. Comput. Sci., 2003)

Three-Dimensional Quantitative Structure-Permeability Relationship Analysis for a Series of Inhibitors of Rhinovirus Replication. - Ekins, Sean; Durst, Gregory L.; Stratford, Robert E.; Thorner, David A.; Lewis, Richard A.; Loncharich, Richard J.; Wikel, James H. (J. Chem. Inf. Comput. Sci., 2001)

Rational Screening Set Design and Compound Selection: Cascaded Clustering. - Menard, Paul R.; Lewis, Richard A.; Mason, Jonathan S. (J. Chem. Inf. Comput. Sci., 1998)

Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach. - Lewis, Richard A.; Mason, Jonathan S.; McLay, Iain M. (J. Chem. Inf. Comput. Sci., 1997)

Current methods for site-directed structure generation. - Lewis, Richard A.; Leach, Andrew R. (J. Comput. Aided Mol. Des., 1994)

A Ring-Bracing Approach to Computer-Assisted Ligand Design. - Leach, Andrew R.; Lewis, Richard A. (J. Comput. Chem., 1994)

Stable and Robust Solution of Trigonometric Equations. - Lewis, Richard A. (Comput. Chem., 1992)

Automated site-directed drug design: Approaches to the formation of 3D molecular graphs. - Lewis, Richard A. (J. Comput. Aided Mol. Des., 1990)

Determination of clefts in receptor structures. - Lewis, Richard A. (J. Comput. Aided Mol. Des., 1989)

Planning Considerations for a Roving Robot with Arm. - Lewis, Richard A.; Bejczy, Antal K. (1973)