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Journal of Chemical Information and Modeling
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February 23, 2024
Combining IC<sub>50</sub> or <i>K</i><sub></sub> Values from Different Sources Is a Source of Significant Noise
Gregory A Landrum, Sereina Riniker
Angewandte Chemie (International Ed. in English)
|
February 13, 2001
Reply
Gregory A. Landrum, Richard Dronskowski
Angewandte Chemie (International Ed. in English)
|
May 2, 2018
Ferromagnetism in Transition Metals: A Chemical Bonding Approach
Gregory A Landrum, Richard Dronskowski
Journal of Chemical Information and Modeling
|
November 18, 2015
Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation
Sereina Riniker, Gregory A Landrum
Journal of Cheminformatics
|
June 1, 2013
Open-source platform to benchmark fingerprints for ligand-based virtual screening
Sereina Riniker, Gregory A Landrum
Journal of Cheminformatics
|
September 26, 2013
Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods
Sereina Riniker, Gregory A Landrum
Future Medicinal Chemistry
|
October 24, 2012
Is that a scientific publication or an advertisement? Reproducibility, source code and data in the computational chemistry literature
Gregory A Landrum, Nikolaus Stiefl
Journal of Chemical Information and Modeling
|
June 26, 2020
rdScaffoldNetwork: The Scaffold Network Implementation in RDKit
Franziska Kruger, Nikolaus Stiefl, Gregory A Landrum
Journal of Chemical Information and Modeling
|
December 28, 2016
What's What: The (Nearly) Definitive Guide to Reaction Role Assignment
Nadine Schneider, Nikolaus Stiefl, Gregory A Landrum
Journal of Chemical Information and Modeling
|
November 1, 2013
Heterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing
Sereina Riniker, Nikolas Fechner, Gregory A Landrum
Page
of 4
Search research articles
Search
Showing results (1-10 of 35) with videos related to
Sort By:
Page
of 4
Journal of Chemical Information and Modeling
|
February 23, 2024
Combining IC<sub>50</sub> or <i>K</i><sub></sub> Values from Different Sources Is a Source of Significant Noise
Gregory A Landrum, Sereina Riniker
Angewandte Chemie (International Ed. in English)
|
February 13, 2001
Reply
Gregory A. Landrum, Richard Dronskowski
Angewandte Chemie (International Ed. in English)
|
May 2, 2018
Ferromagnetism in Transition Metals: A Chemical Bonding Approach
Gregory A Landrum, Richard Dronskowski
Journal of Chemical Information and Modeling
|
November 18, 2015
Better Informed Distance Geometry: Using What We Know To Improve Conformation Generation
Sereina Riniker, Gregory A Landrum
Journal of Cheminformatics
|
June 1, 2013
Open-source platform to benchmark fingerprints for ligand-based virtual screening
Sereina Riniker, Gregory A Landrum
Journal of Cheminformatics
|
September 26, 2013
Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methods
Sereina Riniker, Gregory A Landrum
Future Medicinal Chemistry
|
October 24, 2012
Is that a scientific publication or an advertisement? Reproducibility, source code and data in the computational chemistry literature
Gregory A Landrum, Nikolaus Stiefl
Journal of Chemical Information and Modeling
|
June 26, 2020
rdScaffoldNetwork: The Scaffold Network Implementation in RDKit
Franziska Kruger, Nikolaus Stiefl, Gregory A Landrum
Journal of Chemical Information and Modeling
|
December 28, 2016
What's What: The (Nearly) Definitive Guide to Reaction Role Assignment
Nadine Schneider, Nikolaus Stiefl, Gregory A Landrum
Journal of Chemical Information and Modeling
|
November 1, 2013
Heterogeneous classifier fusion for ligand-based virtual screening: or, how decision making by committee can be a good thing
Sereina Riniker, Nikolas Fechner, Gregory A Landrum
Page
of 4