Man-Ling Lee

Publication Activity (10 Years)

Years Active: 2000-2022
Publications (10 Years): 2

Top Topics

Similarity Computation

Top Venues

J. Comput. Aided Mol. Des.

J. Cheminformatics

Publications

Ignacio Aliagas, Alberto Gobbi, Man-Ling Lee, Benjamin D. Sellers
Comparison of logP and logD correction models trained with public and proprietary data sets. J. Comput. Aided Mol. Des. 36 (3) (2022)
Man-Ling Lee, Ignacio Aliagas, Jianwen A. Feng, Thomas R. Gabriel, T. J. O'Donnell, Benjamin D. Sellers, Bernd Wiswedel, Alberto Gobbi
chemalot and chemalot_knime: Command line programs as workflow tools for drug discovery. J. Cheminformatics 9 (1) (2017)
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
An integrated suite of modeling tools that empower scientists in structure- and property-based drug design. J. Comput. Aided Mol. Des. 29 (6) (2015)
Alberto Gobbi, Anthony M. Giannetti, Huifen Chen, Man-Ling Lee
Atom-Atom-Path similarity and Sphere Exclusion clustering: tools for prioritizing fragment hits. J. Cheminformatics 7 (2015)
Ignacio Aliagas, Alberto Gobbi, Timothy Heffron, Man-Ling Lee, Daniel F. Ortwine, Mark Zak, S. Cyrus Khojasteh
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. 29 (4) (2015)
Alberto Gobbi, Man-Ling Lee
Handling of Tautomerism and Stereochemistry in Compound Registration. J. Chem. Inf. Model. 52 (2) (2012)
Man-Ling Lee, Ignacio Aliagas, Jennafer Dotson, Jianwen A. Feng, Alberto Gobbi, Timothy Heffron
DEGAS: Sharing and Tracking Target Compound Ideas with External Collaborators. J. Chem. Inf. Model. 52 (2) (2012)
Robin Hewitt, Alberto Gobbi, Man-Ling Lee
A Searching and Reporting System for Relational Databases Using a Graph-Based Metadata Representation. J. Chem. Inf. Model. 45 (4) (2005)
Alberto Gobbi, Sandra Funeriu, John Ioannou, Jinyi Wang, Man-Ling Lee, Chris Palmer, Bob Bamford, Robin Hewitt
Process-Driven Information Management System at a Biotech Company: Concept and Implementation. J. Chem. Inf. Model. 44 (3) (2004)
Alberto Gobbi, Man-Ling Lee
DISE: Directed Sphere Exclusion. J. Chem. Inf. Comput. Sci. 43 (1) (2003)
Gisbert Schneider, Man-Ling Lee, Martin Stahl, Petra Schneider
De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks. J. Comput. Aided Mol. Des. 14 (5) (2000)