Richard A. Lewis

22 papers A* 1Journal 21

Year	Rank	Type	Title / Venue / Authors
2025	J	`jnl`	The Need for Continuing Blinded Pose- and Activity Prediction Benchmarks. J. Chem. Inf. Model. Christian Kramer, John D. Chodera, Kelly L. Damm-Ganamet, Michael K. Gilson, Judith Guenther, Uta F. Lessel, Richard A. Lewis, David L. Mobley, Eva Nittinger, Adam Pecina, Matthieu Schapira, W. Patrick Walters
2023	J	`jnl`	PREFER: A New Predictive Modeling Framework for Molecular Discovery. J. Chem. Inf. Model. Jessica Lanini, Gianluca Santarossa, Finton Sirockin, Richard A. Lewis, Nikolas Fechner, Hubert Misztela, Sarah Lewis, Krzysztof Maziarz, Megan Stanley, Marwin H. S. Segler, Nikolaus Stiefl, Nadine Schneider
2022	J	`jnl`	Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks. J. Chem. Inf. Model. Seid Hamzic, Richard A. Lewis, Sandrine Desrayaud, Cihan Soylu, Mike Fortunato, Grégori Gerebtzoff, Raquel Rodríguez-Pérez
2021	J	`jnl`	Best practices for repurposing studies. J. Comput. Aided Mol. Des. Richard A. Lewis
2020	J	`jnl`	Artificial intelligence in chemistry and drug design. J. Comput. Aided Mol. Des. Nathan Brown, Peter Ertl, Richard A. Lewis, Torsten Luksch, Daniel Reker, Nadine Schneider
2020	J	`jnl`	D3R grand challenge 4: blind prediction of protein-ligand poses, affinity rankings, and relative binding free energies. J. Comput. Aided Mol. Des. Conor D. Parks, Zied Gaieb, Michael Chiu, Huanwang Yang, Chenghua Shao, W. Patrick Walters, Johanna M. Jansen, Georgia B. McGaughey, Richard A. Lewis, Scott D. Bembenek, Michael K. Ameriks, Tara Mirzadegan, Stephen K. Burley, Rommie E. Amaro, Michael K. Gilson
2019	J	`jnl`	Advanced Editorial to announce a JCAMD Special Issue on Artificial Intelligence and Machine Learning. J. Comput. Aided Mol. Des. Daniel Reker, Richard A. Lewis
2016	J	`jnl`	Collaborating to improve the use of free-energy and other quantitative methods in drug discovery. J. Comput. Aided Mol. Des. Bradley Sherborne, Veerabahu Shanmugasundaram, Alan C. Cheng, Clara D. Christ, Renee L. DesJarlais, José S. Duca, Richard A. Lewis, Deborah A. Loughney, Eric S. Manas, Georgia B. McGaughey, Catherine E. Peishoff, Herman van Vlijmen
2015	J	`jnl`	FOCUS - Development of a Global Communication and Modeling Platform for Applied and Computational Medicinal Chemists. J. Chem. Inf. Model. Nikolaus Stiefl, Peter Gedeck, Donovan Chin, Peter Hunt, Mika K. Lindvall, Katrin Spiegel, Clayton Springer, Scott Biller, Christoph L. Buenemann, Takanori Kanazawa, Mitsunori Kato, Richard A. Lewis, Eric J. Martin, Valery R. Polyakov, Ruben Tommasi, John H. Van Drie, Brian Vash, Lewis Whitehead, Yongjin Xu, Ruben Abagyan, Eugene Raush, Maxim Totrov
2011	J	`jnl`	Making sure there's a "give" associated with the "take": producing and using open-source software in big pharma. J. Cheminformatics Gregory A. Landrum, Richard A. Lewis, Andrew Palmer, Nikolaus Stiefl, Anna Vulpetti
2005	J	`jnl`	Comparison of Conformational Analysis Techniques To Generate Pharmacophore Hypotheses Using Catalyst. J. Chem. Inf. Model. Rajendra Kristam, Valerie J. Gillet, Richard A. Lewis, David A. Thorner
2004	J	`jnl`	Applied Simulation Modeling. Technometrics Richard A. Lewis
2003	J	`jnl`	Generation and Display of Activity-Weighted Chemical Hyperstructures. J. Chem. Inf. Comput. Sci. Nathan Brown, Peter Willett, David J. Wilton, Richard A. Lewis
2001	J	`jnl`	Three-Dimensional Quantitative Structure-Permeability Relationship Analysis for a Series of Inhibitors of Rhinovirus Replication. J. Chem. Inf. Comput. Sci. Sean Ekins, Gregory L. Durst, Robert E. Stratford, David A. Thorner, Richard A. Lewis, Richard J. Loncharich, James H. Wikel
1998	J	`jnl`	Rational Screening Set Design and Compound Selection: Cascaded Clustering. J. Chem. Inf. Comput. Sci. Paul R. Menard, Richard A. Lewis, Jonathan S. Mason
1997	J	`jnl`	Similarity Measures for Rational Set Selection and Analysis of Combinatorial Libraries: The Diverse Property-Derived (DPD) Approach. J. Chem. Inf. Comput. Sci. Richard A. Lewis, Jonathan S. Mason, Iain M. McLay
1994	J	`jnl`	A Ring-Bracing Approach to Computer-Assisted Ligand Design. J. Comput. Chem. Andrew R. Leach, Richard A. Lewis
1994	J	`jnl`	Current methods for site-directed structure generation. J. Comput. Aided Mol. Des. Richard A. Lewis, Andrew R. Leach
1992	J	`jnl`	Stable and Robust Solution of Trigonometric Equations. Comput. Chem. Richard A. Lewis
1990	J	`jnl`	Automated site-directed drug design: Approaches to the formation of 3D molecular graphs. J. Comput. Aided Mol. Des. Richard A. Lewis
1989	J	`jnl`	Determination of clefts in receptor structures. J. Comput. Aided Mol. Des. Richard A. Lewis
1973	A*	`conf`	Planning Considerations for a Roving Robot with Arm. IJCAI Richard A. Lewis, Antal K. Bejczy