Man-Ling Lee

11 papers Journal 11
YearRankTypeTitle / Venue / Authors
2022 J jnl
Comparison of logP and logD correction models trained with public and proprietary data sets.
J. Comput. Aided Mol. Des.
Ignacio Aliagas, Alberto Gobbi, Man-Ling Lee, Benjamin D. Sellers
2017 J jnl
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery.
J. Cheminformatics
Man-Ling Lee, Ignacio Aliagas, Jianwen A. Feng, Thomas R. Gabriel, T. J. O'Donnell, Benjamin D. Sellers, Bernd Wiswedel, Alberto Gobbi
2015 J jnl
A probabilistic method to report predictions from a human liver microsomes stability QSAR model: a practical tool for drug discovery.
J. Comput. Aided Mol. Des.
Ignacio Aliagas, Alberto Gobbi, Timothy Heffron, Man-Ling Lee, Daniel F. Ortwine, Mark Zak, S. Cyrus Khojasteh
2015 J jnl
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design.
J. Comput. Aided Mol. Des.
Jianwen A. Feng, Ignacio Aliagas, Philippe Bergeron, Jeffrey M. Blaney, Erin K. Bradley, Michael F. T. Koehler, Man-Ling Lee, Daniel F. Ortwine, Vickie Tsui, Johnny Wu, Alberto Gobbi
2015 J jnl
Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits.
J. Cheminformatics
Alberto Gobbi, Anthony M. Giannetti, Huifen Chen, Man-Ling Lee
2012 J jnl
DEGAS: Sharing and Tracking Target Compound Ideas with External Collaborators.
J. Chem. Inf. Model.
Man-Ling Lee, Ignacio Aliagas, Jennafer Dotson, Jianwen A. Feng, Alberto Gobbi, Timothy Heffron
2012 J jnl
Handling of Tautomerism and Stereochemistry in Compound Registration.
J. Chem. Inf. Model.
Alberto Gobbi, Man-Ling Lee
2005 J jnl
A Searching and Reporting System for Relational Databases Using a Graph-Based Metadata Representation.
J. Chem. Inf. Model.
Robin Hewitt, Alberto Gobbi, Man-Ling Lee
2004 J jnl
Process-Driven Information Management System at a Biotech Company: Concept and Implementation.
J. Chem. Inf. Model.
Alberto Gobbi, Sandra Funeriu, John Ioannou, Jinyi Wang, Man-Ling Lee, Chris Palmer, Bob Bamford, Robin Hewitt
2003 J jnl
DISE: Directed Sphere Exclusion.
J. Chem. Inf. Comput. Sci.
Alberto Gobbi, Man-Ling Lee
2000 J jnl
De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks.
J. Comput. Aided Mol. Des.
Gisbert Schneider, Man-Ling Lee, Martin Stahl, Petra Schneider