Gregory A Landrum (Gregory Landrum)

Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 20

Top Topics

Medical Students

Top Venues

Journal of chemical information and modeling

This page only lists publications with an associated author ORCID identifier.

Publications

Gregory A Landrum, Jessica Braun, Paul Katzberger, Marc T Lehner, Sereina Riniker
lwreg: A Lightweight System for Chemical Registration and Data Storage. Journal of chemical information and modeling 64 (16) (2024)
Gregory A Landrum, Jessica Braun, Paul Katzberger, Marc T Lehner, Sereina Riniker
lwreg: A Lightweight System for Chemical Registration and Data Storage. Journal of chemical information and modeling 64 (16) (2024)
Gregory A Landrum, Jessica Braun, Paul Katzberger, Marc T Lehner, Sereina Riniker
lwreg: A Lightweight System for Chemical Registration and Data Storage. Journal of chemical information and modeling (2024)
Gregory A Landrum, Sereina Riniker
Combining IC 50 or K i Values from Different Sources Is a Source of Significant Noise. Journal of chemical information and modeling 64 (5) (2024)
Gregory A Landrum, Sereina Riniker
Combining IC 50 or K i Values from Different Sources Is a Source of Significant Noise. Journal of chemical information and modeling (2024)
Gregory A Landrum, Sereina Riniker
Combining IC 50 or K i Values from Different Sources Is a Source of Significant Noise. Journal of chemical information and modeling 64 (5) (2024)
Gregory A Landrum, Sereina Riniker
Combining IC 50 or K i Values from Different Sources Is a Source of Significant Noise. Journal of chemical information and modeling 64 (5) (2024)
Gregory A Landrum, Sereina Riniker
Combining IC 50 or K i Values from Different Sources Is a Source of Significant Noise. Journal of chemical information and modeling 64 (5) (2024)
Gregory A Landrum, Jessica Braun, Paul Katzberger, Marc T Lehner, Sereina Riniker
lwreg: A Lightweight System for Chemical Registration and Data Storage. Journal of chemical information and modeling 64 (16) (2024)
Gregory A Landrum, Sereina Riniker
Combining IC 50 or K i Values from Different Sources Is a Source of Significant Noise. Journal of chemical information and modeling 64 (5) (2024)
Marc T Lehner, Paul Katzberger, Niels Maeder, Carl C G Schiebroek, Jakob Teetz, Gregory A Landrum, Sereina Riniker
DASH: Dynamic Attention-Based Substructure Hierarchy for Partial Charge Assignment. Journal of chemical information and modeling (2023)
Shuzhe Wang, Kajo Krummenacher, Gregory A Landrum, Benjamin D Sellers, Paola Di Lello, Sarah J Robinson, Bryan Martin, Jeffrey K Holden, Jeffrey Y K Tom, Anastasia C Murthy, Nataliya Popovych, Sereina Riniker
Incorporating NOE-Derived Distances in Conformer Generation of Cyclic Peptides with Distance Geometry. Journal of chemical information and modeling 62 (3) (2022)
Carmen Esposito, Gregory A Landrum, Nadine Schneider, Nikolaus Stiefl, Sereina Riniker
GHOST: Adjusting the Decision Threshold to Handle Imbalanced Data in Machine Learning. Journal of chemical information and modeling 61 (6) (2021)
Franziska Kruger, Nikolaus Stiefl, Gregory A Landrum
rdScaffoldNetwork: The Scaffold Network Implementation in RDKit. Journal of chemical information and modeling 60 (7) (2020)
Shuzhe Wang, Jagna Witek, Gregory A Landrum, Sereina Riniker
Improving Conformer Generation for Small Rings and Macrocycles Based on Distance Geometry and Experimental Torsional-Angle Preferences. Journal of chemical information and modeling 60 (4) (2020)
Dominique Sydow, Michele Wichmann, Jaime Rodríguez-Guerra Pedregal, Daria Goldmann, Gregory A Landrum, Andrea Volkamer
TeachOpenCADD-KNIME: A Teaching Platform for Computer-Aided Drug Design Using KNIME Workflows. Journal of chemical information and modeling 59 (10) (2019)
Sereina Riniker, Gregory A Landrum, Floriane Montanari, Santiago D Villalba, Julie Maier, Johanna M Jansen, W Patrick Walters, Anang A Shelat
Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria. F1000Research 6 (2017)
Nadine Schneider, Nikolas Fechner, Gregory A Landrum, Nikolaus Stiefl
Chemical Topic Modeling: Exploring Molecular Data Sets Using a Common Text-Mining Approach. Journal of chemical information and modeling 57 (8) (2017)
Sereina Riniker, Gregory A Landrum, Floriane Montanari, Santiago D Villalba, Julie Maier, Johanna M Jansen, W Patrick Walters, Anang A Shelat
Virtual-screening workflow tutorials and prospective results from the Teach-Discover-Treat competition 2014 against malaria. F1000Research (2017)
Nadine Schneider, Nikolaus Stiefl, Gregory A Landrum
What's What: The (Nearly) Definitive Guide to Reaction Role Assignment. Journal of chemical information and modeling 56 (12) (2016)