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Alexander Tropsha

UNC

82H-index
580Paper Count
3.4WCitation Count
Published Papers 188
Publication Date
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Structure-dependent incorporation of terpenes into amphiphilic Poly(2-oxazoline) micelles
errBiomedical Microdevices
IF3.3
err2026-05-20
err0
PREAI
errLiubov Palchak; Seraphim Kozlov; Cleber Melo-Filho; Alex Tropsha; Alexander V. Kabanov
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CACHE Challenge #3: Targeting the Nsp3 Macrodomain of SARS-CoV-2
errJournal of Chemical Information and Modeling
IF5.3
err2026-01-21
err0
errOAAI
errOleksandra Herasymenko; Madhushika Silva; Galen J. Correy; Abd Al-Aziz A. Abu-Saleh; Suzanne Ackloo; Cheryl Arrowsmith; Alan Ashworth; Fuqiang Ban; Hartmut Beck; Kevin P. Bishop; Hugo J. Bohórquez; Albina Bolotokova; Marko Breznik; Irene Chau; Yu Chen; Artem Cherkasov; Wim Dehaen; Dennis Della Corte; Katrin Denzinger; Niklas P. Doering; Kristina Edfeldt; Aled Edwards; Darren Fayne; Francesco Gentile; Elisa Gibson; Ozan Gokdemir; Anders Gunnarsson; Judith Günther; John J. Irwin; Jan Halborg Jensen; Rachel J. Harding; Alexander Hillisch; Laurent Hoffer; Anders Hogner; Ashley Hutchinson; Shubhangi Kandwal; Andrea Karlova; Kushal Koirala; Sergei Kotelnikov; Dima Kozakov; Juyong Lee; Soowon Lee; Uta Lessel; Sijie Liu; Xuefeng Liu; Peter Loppnau; Jens Meiler; Rocco Moretti; Yurii S. Moroz; Charuvaka Muvva; Tudor I. Oprea; Brooks Paige; Amit Pandit; Keunwan Park; Gennady Poda; Mykola V. Protopopov; Vera Pütter; Rahul Ravichandran; Didier Rognan; Edina Rosta; Yogesh Sabnis; Thomas Scott; Almagul Seitova; Purshotam Sharma; François Sindt; Minghu Song; Casper Steinmann; Rick Stevens; Valerij Talagayev; Valentyna V. Tararina; Olga Tarkhanova; Damon Tingey; John F. Trant; Dakota Treleaven; Alexander Tropsha; Patrick Walters; Jude Wells; Yvonne Westermaier; Gerhard Wolber; Lars Wortmann; Shuangjia Zheng; James S. Fraser; Matthieu Schapira
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errSave
GAME+: lossless knowledge-graph compression for improving the efficiency and effectiveness of rule mining
errInternational Journal of Data Science and Analytics
IF2.8
err2025-12-19
err0
errOAAI
errKara Schatz; Jon-Michael Beasley; Alexander Tropsha; Rada Chirkova
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errSave
In silico Drug Discovery: Bridging the Gaps in Preclinical Translation
errDrug Discovery Today
IF7.5
err2025-12-03
err0
PREAI
errSarine Markossian; Hannah M. Baskir; Abigail C. Grossman; Suchismita Chandran; Shyam Rele; Matthew D. Hall; Rommie E. Amaro; Alexander Tropsha; Alexey V. Zakharov
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Novel Computational Pipeline to Identify Target Sites for Broad Spectrum Antiviral Drugs
errAntiviral Research
IF4
err2025-12-01
err0
PREAI
errJohn D. Sears; Konstantin I. Popov; Paul Sylvester; Rebekah Dickmander; Jennifer Loome-Diaz; Che-Kang Chang; Julia Huff; Wes Sanders; Nicholas A. Saba; Madeleine Sorensen; Adam M. Drobish; Nicholas A. May; Kevin Namitz; Julia Fecko; Neela H. Yennawar; Thomas E. Morrison; Alexander Tropsha; Mark T. Heise; Nathaniel J. Moorman
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errSave
Medicines, Diseases, Indications, and Contraindications (MeDIC): a foundational resource to support drug repurposing
errNUCLEIC ACIDS RESEARCH
IF13.1
err2025-12-01
err0
errOAAI
errDeLuca, Marcello; Matentzoglu, Nico; Sharp, Elliott; Li, Jane; Hempstead, Charlie; Lim, May; Kaniewski, Piotr; Carter, E. Kathleen; Koirala, Kushal; Ding, Elvin; Vijnck, Laurens; Brokmeier, Pascal; Toro, Sabrina; Schaper, Kevin; Vergine, Jacques; Li, Olivia; Oprea, Tudor, I; Fajgenbaum, David C.; Bizon, Christopher; Haendel, Melissa; Tropsha, Alexander
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errSave
Modeling Protein–Protein and Protein–Ligand Interactions by the ClusPro Team in CASP16
errProteins: Structure, Function, and Bioinformatics
IF0
err2025-10-20
err0
errOAAI
errRyota Ashizawa; Sergei Kotelnikov; Omeir Khan; Stan Xiaogang Li; Ernest Glukhov; Xin Cao; Maria Lazou; Ayse Bekar-Cesaretli; Derara Hailegeorgis; Veranika Averkava; Yimin Zhu; George Jones; Hao Yu; Dmytro Kalitin; Darya Stepanenko; Kushal Koirala; Taras Patsahan; Dmitri Beglov; Mark Lukin; Diane Joseph-McCarthy; Carlos Simmerling; Alexander Tropsha; Evangelos Coutsias; Ken A. Dill; Dzmitry Padhorny; Sandor Vajda; Dima Kozakov
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errSave
Enabling Open Machine Learning of Deoxyribonucleic Acid-Encoded Library Selections to Accelerate the Discovery of Small Molecule Protein Binders
errJournal of Medicinal Chemistry
IF6.8
err2025-10-06
err0
errOAAI
errJames Wellnitz; Shabbir Ahmad; Nabin Bagale; Xuemin Cheng; Jermiah Joseph; Hong Zeng; Albina Bolotokova; Aiping Dong; Shaghayegh Reza; Pegah Ghiabi; Elisa Gibson; Guiping Tu; Xianyang Li; Jian Liu; Dengfeng Dou; Jin Li; Timothy L. Foley; Anthony R. Harris; Jacquelyn L. Klug-McLeod; Jisun Lee; Zsofia Lengyel-Zhand; Justin I. Montgomery; Sylvie Sakata; Jinzhi Zhang; Hongyao Zhu; Dafydd R. Owen; Rachel J. Harding; Aled M. Edwards; Benjamin Haibe-Kains; Levon Halabelian; Alexander Tropsha; Rafael M. Couñago
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errSave
Challenges of broad-spectrum antiviral drug discovery and development for emerging pathogens
errDrug Discovery Today
IF7.5
err2025-09-24
err0
PREAI
errHolli-Joi Martin; Jon-Michael Beasley; Enes Kelestemur; Zoe Sessions; Stephan Ludwig; Nathaniel J. Moorman; Ralph Baric; Eugene N. Muratov; Alexander Tropsha
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errSave
Phosphorylation-activated G protein signaling stabilizes TCP14 and JAZ3 to repress JA signaling and enhance plant immunity
errMolecular Plant
IF24.1
err2025-06-12
err0
PREAI
errHaiyan Jia; Natalie Hewitt; Lucía Jordá; Tigran M. Abramyan; Josh Tolliver; Janice L. Jones; Kinya Nomura; Jing Yang; Sheng-Yang He; Alexander Tropsha; Antonio Molina; Henrik G. Dohlman; Alan M. Jones
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errSave
HIV Pharmacology Data Repository: Setting the New Information-Sharing Standard for Clinical and Preclinical Pharmacokinetic Studies
errClinical Pharmacology & Therapeutics
IF5.5
err2025-05-12
err0
PREAI
errLauren A.R. Tompkins; Adrian Khoei; Oleg Kapeljushnik; Julie Dumond; Angela D.M. Kashuba; Alexander Tropsha; Robert Hubal; Mackenzie L. Cottrell
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errSave
AI-driven discovery of synergistic drug combinations against pancreatic cancer
errNATURE COMMUNICATIONS
IF15.7
err2025-04-29
err0
errOAAI
errPourmousa, Mohsen; Jain, Sankalp; Barnaeva, Elena; Jin, Wengong; Hochuli, Joshua; Itkin, Zina; Maxfield, Travis; Melo-Filho, Cleber; Thieme, Andrew; Wilson, Kelli; Klumpp-Thomas, Carleen; Michael, Sam; Southall, Noel; Jaakkola, Tommi; Muratov, Eugene N.; Barzilay, Regina; Tropsha, Alexander; Ferrer, Marc
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Elucidating the mechanistic relationships between peroxisome proliferator-activated receptors and hepatic fibrosis using the ROBOKOP knowledge graph
errFRONTIERS IN TOXICOLOGY
IF4.6
err2025-04-22
err0
errOAAI
errFecho, Karamarie; Tucker, Nyssa; Beasley, Jon-Michael; Auerbach, Scott S.; Bizon, Chris; Tropsha, Alexander
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The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom's law
errDRUG DISCOVERY TODAY
IF7.5
err2025-04-01
err0
PREAI
errTropsha, Alexander; Martin, Holli-Joi; Cherkasov, Artem
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errSave
Design Principles From Natural Olfaction for Electronic Noses
errADVANCED SCIENCE
IF14.1
err2025-01-21
err0
errOAAI
errPatel, H; Portilla, VG; Shneidman, AV; Movilli, J; Alvarenga, J; Dupre, C; Aizenberg, M; Murthy, VN; Tropsha, A; Aizenberg, J
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One size does not fit all: revising traditional paradigms for assessing accuracy of QSAR models used for virtual screening
errJOURNAL OF CHEMINFORMATICS
IF5.7
err2025-01-16
err0
errOAAI
errWellnitz, James; Jain, Sankalp; Hochuli, Joshua E.; Maxfield, Travis; Muratov, Eugene N.; Tropsha, Alexander; Zakharov, Alexey V.
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errSave
A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents
errTOXICS
IF4.1
err2024-11-07
err0
errOAAI
errTieghi, Ricardo Scheufen; Moreira-Filho, Jose Teofilo; Martin, Holli-Joi; Wellnitz, James; Otoch, Miguel Canamary; Rath, Marielle; Tropsha, Alexander; Muratov, Eugene N.; Kleinstreuer, Nicole
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Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics
errCHEMISTRY OF MATERIALS
IF7
err2024-08-16
err0
PREAI
errHart, Matthew; Idanwekhai, Kelvin; Alves, Vinicius M.; Miller, Alexander J. M.; Dempsey, Jillian L.; Cahoon, James F.; Chen, Chun-Hsing; Winkler, David A.; Muratov, Eugene N.; Tropsha, Alexander
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A data science roadmap for open science organizations engaged in early-stage drug discovery
errNATURE COMMUNICATIONS
IF15.7
err2024-07-05
err4
errOAAI
errEdfeldt, Kristina; Edwards, Aled M.; Engkvist, Ola; Guenther, Judith; Hartley, Matthew; Hulcoop, David G.; Leach, Andrew R.; Marsden, Brian D.; Menge, Amelie; Misquitta, Leonie; Mueller, Susanne; Owen, Dafydd R.; Schuett, Kristof T.; Skelton, Nicholas; Steffen, Andreas; Tropsha, Alexander; Vernet, Erik; Wang, Yanli; Wellnitz, James; Willson, Timothy M.; Clevert, Djork-Arne; Haibe-Kains, Benjamin; Schiavone, Lovisa Holmberg; Schapira, Matthieu
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Modeling interactions between Heparan sulfate and proteins based on the Heparan sulfate microarray analysis
errGLYCOBIOLOGY
IF3.3
err2024-06-05
err1
PREAI
errMelo-Filho, Cleber C.; Su, Guowei; Liu, Kevin; Muratov, Eugene N.; Tropsha, Alexander; Liu, Jian
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Research Directions

No research directions
Co-authors
Cooperation Journals
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H-index: 200 · Papers: 1.6K
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Patrick F. Sullivan
H-index: 160 · Papers: 1.1K
B
Benjamin M. Neale
H-index: 160 · Papers: 798
J
Jeffrey A. Lieberman
H-index: 151 · Papers: 905
R
Ralph S. Baric
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