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2020 – today
- 2022
[j11]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): 253-262 (2022)
2010 – 2019
- 2017
- [j10]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): 38:1-38:14 (2017) - 2015
- [j9]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): 327-338 (2015) - [j8]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): 511-523 (2015) - [j7]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: 11 (2015) - 2012
- [j6]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): 278-284 (2012) - [j5]Alberto Gobbi, Man-Ling Lee:
Handling of Tautomerism and Stereochemistry in Compound Registration. J. Chem. Inf. Model. 52(2): 285-292 (2012)
2000 – 2009
- 2005
- [j4]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): 863-869 (2005) - 2004
- [j3]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): 964-975 (2004) - 2003
- [j2]Alberto Gobbi, Man-Ling Lee:
DISE: Directed Sphere Exclusion. J. Chem. Inf. Comput. Sci. 43(1): 317-323 (2003) - 2000
- [j1]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): 487-494 (2000)
Coauthor Index
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