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Journal Articles
- 2021
[j11]Nicolas Bosc
, Eloy Felix, Ricardo Arcila, David Mendez, Martin R. Saunders, Darren V. S. Green, Jason Ochoada, Anang A. Shelat, Eric J. Martin, Preeti Iyer, Ola Engkvist, Andreas Verras, James Duffy, Jeremy N. Burrows, J. Mark F. Gardner, Andrew R. Leach:
MAIP: a web service for predicting blood-stage malaria inhibitors. J. Cheminformatics 13(1): 13 (2021)- 2014
- [j10]Shilva Kayastha, Dilyana Dimova, Preeti Iyer, Martin Vogt, Jürgen Bajorath:
Large-Scale Assessment of Activity Landscape Feature Probabilities of Bioactive Compounds. J. Chem. Inf. Model. 54(2): 442-450 (2014) - 2013
- [j9]Mohsen Ahmadi, Martin Vogt, Preeti Iyer, Jürgen Bajorath, Holger Fröhlich:
Predicting Potent Compounds via Model-Based Global Optimization. J. Chem. Inf. Model. 53(3): 553-559 (2013) - [j8]Martin Vogt, Preeti Iyer, Gerald M. Maggiora, Jürgen Bajorath:
Conditional Probabilities of Activity Landscape Features for Individual Compounds. J. Chem. Inf. Model. 53(7): 1602-1612 (2013) - [j7]Vigneshwaran Namasivayam, Preeti Iyer, Jürgen Bajorath:
Prediction of Individual Compounds Forming Activity Cliffs Using Emerging Chemical Patterns. J. Chem. Inf. Model. 53(12): 3131-3139 (2013) - 2012
- [j6]Preeti Iyer, Dilyana Dimova, Martin Vogt, Jürgen Bajorath:
Navigating High-Dimensional Activity Landscapes: Design and Application of the Ligand-Target Differentiation Map. J. Chem. Inf. Model. 52(8): 1962-1969 (2012) - 2011
- [j5]Preeti Iyer, Ye Hu, Jürgen Bajorath:
SAR Monitoring of Evolving Compound Data Sets Using Activity Landscapes. J. Chem. Inf. Model. 51(3): 532-540 (2011) - [j4]Preeti Iyer, Dagmar Stumpfe, Jürgen Bajorath:
Molecular Mechanism-Based Network-like Similarity Graphs Reveal Relationships between Different Types of Receptor Ligands and Structural Changes that Determine Agonistic, Inverse-Agonistic, and Antagonistic Effects. J. Chem. Inf. Model. 51(6): 1281-1286 (2011) - [j3]Vigneshwaran Namasivayam, Preeti Iyer, Jürgen Bajorath:
Extraction of Discontinuous Structure-Activity Relationships from Compound Data Sets through Particle Swarm Optimization. J. Chem. Inf. Model. 51(7): 1545-1551 (2011) - [j2]Preeti Iyer, Ye Hu, Jürgen Bajorath:
SAR Monitoring of Evolving Compound Data Sets Using Activity Landscapes. J. Chem. Inf. Model. 51(11): 3026 (2011) - 2010
- [j1]Lisa Peltason, Preeti Iyer, Jürgen Bajorath:
Rationalizing Three-Dimensional Activity Landscapes and the Influence of Molecular Representations on Landscape Topology and the Formation of Activity Cliffs. J. Chem. Inf. Model. 50(6): 1021-1033 (2010)
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