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Total posts by Alexander Tropsha: 9
publication
·
1 year ago
QSAR Modeling of Tox21 Challenge Stress Response and Nuclear Receptor Signaling Toxicity Assays
by
Alexander Tropsha
,
Stephen J. Capuzzi
,
Regina Politi
,
Olexandr Isayev
,
Sherif Farag
(
University of North Carolina
)
publication
·
2 years 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
·
6 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
·
6 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
·
8 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
·
8 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
·
9 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
·
9 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
·
9 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
)