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Total posts by Alexander Tropsha: 8

publication · 5 months ago
QSAR models of human data can enrich or replace
by Denis Fourches, Alexander Tropsha, Rodolpho C. Braga, Carolina H. Andrade, Vinicius M. Alves, Stephen J. Capuzzi, Eugene N. Muratov, Thomas E. Thornton, Judy Strickland, Nicole Kleinstreuer (University of North Carolina, Federal University of Goiás, Kazan Federal University, Odessa National Polytechnic University)
publication · 4 years ago
Tuning hERG Out: Antitarget QSAR Models for Drug Development
by Eugene Muratov, Alexander Tropsha, Rodolpho C. Braga, Vinícius Alves, Meryck Silva, Dennis Fourches, Carolina H. Andrade (University of North Carolina at Chapel Hill, Federal University of Goiás)
publication · 4 years ago
PITPs as targets for selectively interfering with phosphoinositide signaling in cells
by Alexander Tropsha, Aaron H Nile, Ashutosh Tripathi, Peihua Yuan, Carl J Mousley, Sundari Suresh, Iain Michael Wallace, Sweety DShah, Denise Teotico Pohlhaus, Brenda Temple, Corey Nislow, Guri Giaever, Ronald W Davis, Robert P St Onge, Vytas A Bankaitis (Stanford University, University of British Columbia, Texas A&M University College Station, University of North Carolina)
poster · 6 years ago
QSAR Modeling of 5-HT1B, 5-HT1D and 5-HT1F Serotonin Receptor Ligands and Model-Based Parallel Virtual Screening for Novel Anti-Migraine Therapeutics
by Alexander Tropsha, Tiago L. Moda, Xiang S. Wang, Adriano D. Andricopulo (University of North Carolina at Chapel Hill, Universidade de São Paulo)
publication · 6 years ago
Cheminformatics Analysis of Assertions Mined from Literature That Describe Drug-Induced Liver Injury in Different Species
by Denis Fourches, Alexander Tropsha, Julie C. Barnes, Nicola C. Day, Paul Bradley, Jane Z. Reed (University of North Carolina at Chapel Hill)
publication · 7 years ago
Development, Validation, and Use of Quantitative Structure-Activity Relationship Models of 5-Hydroxytryptamine (2B) Receptor Ligands to Identify Novel Receptor Binders and Putative Valvulopathic Compounds among Common Drugs
by Alexander Tropsha, Rima Hajjo, Christopher M. Grulke, Alexander Golbraikh, Vincent Setola, Xi-Ping Huang, Bryan L. Roth (University of North Carolina at Chapel Hill)
publication · 7 years ago
Distributed Chemical Computing Using ChemStar: An Open Source Java Remote Method Invocation Architecture Applied to Large Scale Molecular Data from PubChem
by Anil Kumar Pandey, Alexander Tropsha, Andreas Bender, Muthukumarasamy Karthikeyan, S. Krishnan (National Chemical Laboratory)
publication · 7 years ago
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
by Denis Fourches, Eugene Muratov, Alexander Tropsha (University of North Carolina at Chapel Hill)