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Molecular Informatics|August 4, 2016
The Development of Novel Chemical Fragment-Based Descriptors Using Frequent Common Subgraph Mining Approach and Their Application in QSAR ModelingRaed Khashan, Weifan Zheng, Alexander TropshaJournal of Chemical Information and Modeling|June 10, 2016
Trust, but Verify II: A Practical Guide to Chemogenomics Data CurationDenis Fourches, Eugene Muratov, Alexander TropshaJournal of Medicinal Chemistry|April 28, 2006
Development of quantitative structure-binding affinity relationship models based on novel geometrical chemical descriptors of the protein-ligand interfacesShuxing Zhang, Alexander Golbraikh, Alexander TropshaMolecular Informatics|February 10, 2022
Data Mining Meets Machine Learning: A Novel ANN-based Multi-body Interaction Docking Scoring Function (MBI-score) Based on Utilizing Frequent Geometric and Chemical Patterns of Interfacial Atoms in Native Protein-ligand ComplexesRaed Khashan, Alexander Tropsha, Weifan ZhengPathogens (Basel, Switzerland)|July 27, 2022
Analyzing the Systems Biology Effects of COVID-19 mRNA Vaccines to Assess Their Safety and Putative Side EffectsRima Hajjo, Dima A Sabbah, Alexander TropshaDrug Discovery Today|March 23, 2025
The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom's lawAlexander Tropsha, Holli-Joi Martin, Artem CherkasovMolecular Informatics|October 26, 2016
Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future DevelopmentIgor V Tetko, Uko Maran, Alexander TropshaProteins|May 24, 2008
HIV-1 protease function and structure studies with the simplicial neighborhood analysis of protein packing methodShuxing Zhang, Andrew H Kaplan, Alexander TropshaDiscrete & Computational Geometry|January 1, 2026
On the Size of Chromatic Delaunay MosaicsRanita Biswas, Sebastiano Cultrera di Montesano, Ondřej Draganov, et al.Arxiv|April 1, 2024
An Improved Metric and Benchmark for Assessing the Performance of Virtual Screening ModelsMichael Brocidiacono, Konstantin I Popov, Alexander TropshaPageof 26