Alexander Tropsha

33.7k total citations · 13 hit papers
307 papers, 23.8k citations indexed

About

Alexander Tropsha is a scholar working on Computational Theory and Mathematics, Molecular Biology and Materials Chemistry. According to data from OpenAlex, Alexander Tropsha has authored 307 papers receiving a total of 23.8k indexed citations (citations by other indexed papers that have themselves been cited), including 184 papers in Computational Theory and Mathematics, 179 papers in Molecular Biology and 62 papers in Materials Chemistry. Recurrent topics in Alexander Tropsha's work include Computational Drug Discovery Methods (182 papers), Protein Structure and Dynamics (49 papers) and Machine Learning in Materials Science (38 papers). Alexander Tropsha is often cited by papers focused on Computational Drug Discovery Methods (182 papers), Protein Structure and Dynamics (49 papers) and Machine Learning in Materials Science (38 papers). Alexander Tropsha collaborates with scholars based in United States, Brazil and Ukraine. Alexander Tropsha's co-authors include Alexander Golbraikh, Denis Fourches, Eugene Muratov, Paola Gramatica, Vijay K. Gombar, Weifan Zheng, Hao Zhu, Olexandr Isayev, David A. Winkler and Alexandre Varnek and has published in prestigious journals such as Chemical Reviews, Proceedings of the National Academy of Sciences and Journal of the American Chemical Society.

In The Last Decade

Alexander Tropsha

280 papers receiving 23.2k citations

Hit Papers

5 papers align trajectories

What are hit papers?

Hit papers significantly outperform the citation benchmark for their cohort. A paper qualifies if it has ≥500 total citations, achieves ≥1.5× the top-1% citation threshold for papers in the same subfield and year (this is the minimum needed to enter the top 1%, not the average within it), or reaches the top citation threshold in at least one of its specific research topics.

Beware of q2!

2002 3.2k citations Alexander Tropsha et al. profile →
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models

2003 1.8k citations Alexander Tropsha et al. profile →
Best Practices for QSAR Model Development, Validation, and Exploitation

2010 1.4k citations Alexander Tropsha Molecular Informatics profile →
QSAR Modeling: Where Have You Been? Where Are You Going To?

2013 1.4k citations Artem Cherkasov, Eugene Muratov et al. profile →
Rational selection of training and test sets for the development of validated QSAR models

2003 568 citations Alexander Tropsha et al. profile →
Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research

2010 562 citations Denis Fourches, Eugene Muratov et al. Journal of Chemical Information and Modeling profile →
Beware of R²: Simple, Unambiguous Assessment of the Prediction Accuracy of QSAR and QSPR Models

2015 553 citations Alexander Tropsha, David A. Winkler et al. Journal of Chemical Information and Modeling profile →
QSAR without borders

2020 547 citations Eugene Muratov, Jürgen Bajorath et al. Chemical Society Reviews profile →
Chemical Basis of Interactions Between Engineered Nanoparticles and Biological Systems

2014 498 citations Denis Fourches, Alexander Tropsha et al. profile →
Universal fragment descriptors for predicting properties of inorganic crystals

2017 465 citations Olexandr Isayev, Stefano Curtarolo et al. Nature Communications profile →
The transformational role of GPU computing and deep learning in drug discovery

2022 147 citations Michael Fernández, Olexandr Isayev et al. profile →
Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR

2023 145 citations Alexander Tropsha, Olexandr Isayev et al. Nature Reviews Drug Discovery profile →
STopTox: An in Silico Alternative to Animal Testing for Acute Systemic and Topical Toxicity

2022 122 citations Joyce Villa Verde Bastos Borba, Vinícius M. Alves et al. profile →

Peers

Countries citing papers authored by Alexander Tropsha

Since Specialization

Citations

This map shows the geographic impact of Alexander Tropsha's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Alexander Tropsha with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Alexander Tropsha more than expected).

Fields of papers citing papers by Alexander Tropsha

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Alexander Tropsha. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Alexander Tropsha. The network helps show where Alexander Tropsha may publish in the future.

Co-authorship network of co-authors of Alexander Tropsha

This figure shows the co-authorship network connecting the top 25 collaborators of Alexander Tropsha. A scholar is included among the top collaborators of Alexander Tropsha based on the total number of citations received by their joint publications. Widths of edges represent the number of papers authors have co-authored together. Node borders signify the number of papers an author published with Alexander Tropsha. Alexander Tropsha is excluded from the visualization to improve readability, since they are connected to all nodes in the network.

All Works

Sort: Min cites: Since: Top N: Style:

20 of 20 papers shown

#	Work	Indexed citations
1	The Six Ds of Exponentials and drug discovery: A path toward reversing Eroom’s law 2025 ·Drug Discovery Today ·Alexander Tropsha, (unknown), Artem Cherkasov	1
2	Design Principles From Natural Olfaction for Electronic Noses 2025 ·Advanced Science ·(unknown), (unknown), Anna V. Shneidman, (unknown), Jack Alvarenga, Jean‐Christophe Dupré, Michael Aizenberg, Venkatesh N. Murthy, Alexander Tropsha, Joanna Aizenberg	4
3	AI-driven discovery of synergistic drug combinations against pancreatic cancer 2025 ·Nature Communications ·Mohsen Pourmousa, Sankalp Jain, Elena Barnaeva, Wengong Jin, (unknown), Zina Itkin, (unknown), Cleber C. Melo‐Filho, (unknown), Kelli M. Wilson, Carleen Klumpp‐Thomas, Sam Michael, Noel Southall, Tommi Jaakkola, Eugene Muratov, Regina Barzilay, Alexander Tropsha, Marc Ferrer, Alexey Zakharov	6
4	Trust Not Verify? The Critical Need for Data Curation Standards in Materials Informatics 2024 ·Chemistry of Materials ·(unknown), (unknown), Vinícius M. Alves, Alexander J. M. Miller, Jillian L. Dempsey, James F. Cahoon, Chun‐Hsing Chen, David A. Winkler, Eugene Muratov, Alexander Tropsha	5
5	A Novel Machine Learning Model and a Web Portal for Predicting the Human Skin Sensitization Effects of Chemical Agents 2024 ·Toxics ·(unknown), José Teófilo Moreira‐Filho, (unknown), (unknown), (unknown), (unknown), Alexander Tropsha, Eugene Muratov, Nicole Kleinstreuer	3
6	Towards Improving the Efficiency of Drug Repurposing by Leveraging Node Promiscuity in Biomedical Knowledge Graphs 2024 ·Daniel Korn, (unknown), (unknown), (unknown), Alexander Tropsha, Rada Chirkova	0
7	Utilizing Low-Dimensional Molecular Embeddings for Rapid Chemical Similarity Search 2024 ·Lecture notes in computer science ·(unknown), (unknown), (unknown), (unknown), Konstantin I. Popov, Shawn M. Gomez, Alexander Tropsha	1
8	Small molecule antiviral compound collection (SMACC): A comprehensive, highly curated database to support the discovery of broad-spectrum antiviral drug molecules 2023 ·Antiviral Research ·(unknown), Cleber C. Melo‐Filho, Daniel Korn, Richard T. Eastman, Ganesha Rai, Anton Simeonov, Alexey Zakharov, Eugene Muratov, Alexander Tropsha	7
9	Integrating QSAR modelling and deep learning in drug discovery: the emergence of deep QSAR breakdown → 2023 ·Nature Reviews Drug Discovery ·Alexander Tropsha, Olexandr Isayev, Alexandre Varnek, Gisbert Schneider, Artem Cherkasov	145
10	HIt Discovery using docking ENriched by GEnerative Modeling (HIDDEN GEM): A novel computational workflow for accelerated virtual screening of ultra‐large chemical libraries 2023 ·Molecular Informatics ·Konstantin I. Popov, (unknown), (unknown), Alexander Tropsha	12
11	BigBind: Learning from Nonstructural Data for Structure-Based Virtual Screening 2023 ·Journal of Chemical Information and Modeling ·(unknown), Paul Francoeur, (unknown), Konstantin I. Popov, David Ryan Koes, Alexander Tropsha	6
12	PreS/MD: Predictor of Sensitization Hazard for Chemical Substances Released From Medical Devices 2022 ·Toxicological Sciences ·Vinícius M. Alves, Joyce Villa Verde Bastos Borba, Rodolpho C. Braga, Daniel Korn, Nicole Kleinstreuer, (unknown), Alexander Tropsha, Diego Rua, Eugene Muratov	6
13	Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents 2022 ·ACS Pharmacology & Translational Science ·(unknown), Sankalp Jain, Cleber C. Melo‐Filho, (unknown), Tesia Bobrowski, (unknown), (unknown), Richard T. Eastman, (unknown), Ganesha Rai, Anton Simeonov, Alexander Tropsha, Eugene Muratov, Bolormaa Baljinnyam, Alexey Zakharov	11
14	Abstracts of XXVII Symposium "Bioinformatics and Computer-Aided Drug Discovery" 2021 ·Alexandre Varnek, Igor V. Tetko, Alexander Tropsha, Vladimir Poroikov, Roman G. Efremov, А.В. Сулимов, Oleg V. Pyankov, Х. С. Шихалиев, Danil Kutov, (unknown), (unknown), В. Б. Сулимов, (unknown), (unknown), (unknown), (unknown), Н. Л. Фролова, V. M. Shkumatov, (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown), (unknown)	2
15	COVID-KOP: integrating emerging COVID-19 data with the ROBOKOP database 2020 ·Bioinformatics ·Daniel Korn, Tesia Bobrowski, (unknown), (unknown), Patrick Wang, Phillips Owen, Gaurav Vaidya, Eugene Muratov, Rada Chirkova, Chris Bizon, Alexander Tropsha	15
16	Correction: QSAR without borders 2020 ·Chemical Society Reviews ·Eugene Muratov, Jürgen Bajorath, Robert P. Sheridan, Igor V. Tetko, Dmitry Filimonov, Vladimir Poroikov, Tudor I. Oprea, Igor I. Baskin, Alexandre Varnek, Adrián E. Roitberg, Olexandr Isayev, Stefano Curtarolo, Denis Fourches, Yoram Cohen, Alán Aspuru‐Guzik, David A. Winkler, Dimitris K. Agrafiotis, Artem Cherkasov, Alexander Tropsha	17
17	QSAR without borders breakdown → 2020 ·Chemical Society Reviews ·Eugene Muratov, Jürgen Bajorath, Robert P. Sheridan, Igor V. Tetko, Dmitry Filimonov, Vladimir Poroikov, Tudor I. Oprea, Igor I. Baskin, Alexandre Varnek, Adrián E. Roitberg, Olexandr Isayev, (unknown), Denis Fourches, Yoram Cohen, Alán Aspuru‐Guzik, David A. Winkler, Dimitris K. Agrafiotis, Artem Cherkasov, Alexander Tropsha	547
18	Quantitative Structure–Price Relationship (QS$R) Modeling and the Development of Economically Feasible Drug Discovery Projects 2019 ·Journal of Chemical Information and Modeling ·Michael Fernández, Fuqiang Ban, (unknown), (unknown), Carl F. Perez, Valery V. Fokin, Alexander Tropsha, Artem Cherkasov	3
19	Cheminformatics-driven discovery of polymeric micelle formulations for poorly soluble drugs 2019 ·Science Advances ·Vinícius M. Alves, Duhyeong Hwang, Eugene Muratov, Marina Sokolsky‐Papkov, Ekaterina Varlamova, Natasha Vinod, Chaemin Lim, Carolina Horta Andrade, Alexander Tropsha, Alexander V. Kabanov	40
20	Material informatics driven design and experimental validation of lead titanate as an aqueous solar photocathode 2016 ·OSTI OAI (U.S. Department of Energy Office of Scientific and Technical Information) ·Taylor Moot, Olexandr Isayev, (unknown), Shannon M. McCullough, (unknown), René López, James F. Cahoon, Alexander Tropsha	23

Rankless uses publication and citation data sourced from OpenAlex, an open and comprehensive bibliographic database. While OpenAlex provides broad and valuable coverage of the global research landscape, it—like all bibliographic datasets—has inherent limitations. These include incomplete records, variations in author disambiguation, differences in journal indexing, and delays in data updates. As a result, some metrics and network relationships displayed in Rankless may not fully capture the entirety of a scholar's output or impact.

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