• 13660 Citations
  • 54 h-Index
1984 …2018
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  • 10 Similar Profiles
Quantitative Structure-Activity Relationship Medicine & Life Sciences
Slip forming Chemical Compounds
Proteins Medicine & Life Sciences
Ligands Medicine & Life Sciences
Drug Discovery Medicine & Life Sciences
Screening Chemical Compounds
Databases Medicine & Life Sciences
Pharmaceutical Preparations Medicine & Life Sciences

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Projects 1992 2016

Research Output 1984 2018

1 Citations

A bibliometric review of drug repurposing

Baker, N. C., Ekins, S., Williams, A. J. & Tropsha, A. Mar 1 2018 In : Drug Discovery Today. 23, 3, p. 661-672 12 p.

Research output: Contribution to journalReview article

Drug Repositioning
Bibliometrics
Pharmaceutical Preparations
Data Mining
PubMed

AFLOW-ML: A RESTful API for machine-learning predictions of materials properties

Gossett, E., Toher, C., Oses, C., Isayev, O., Legrain, F., Rose, F., Zurek, E., Carrete, J., Mingo, N., Tropsha, A. & Curtarolo, S. Sep 1 2018 In : Computational Materials Science. 152, p. 134-145 12 p.

Research output: Contribution to journalArticle

application programming interface
machine learning
Application programming interfaces (API)
Material Properties
Learning systems
1 Citations

A Perspective and a New Integrated Computational Strategy for Skin Sensitization Assessment

Alves, V. M., Capuzzi, S. J., Braga, R. C., Borba, J. V. B., Silva, A. C., Luechtefeld, T., Hartung, T., Andrade, C. H., Muratov, E. N. & Tropsha, A. Mar 5 2018 In : ACS Sustainable Chemistry and Engineering. 6, 3, p. 2845-2859 15 p.

Research output: Contribution to journalReview article

Molecular graphics
Computational chemistry
Bayesian networks
Computational methods
skin
8 Citations

Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?

Alves, V. M., Muratov, E. N., Zakharov, A., Muratov, N. N., Andrade, C. H. & Tropsha, A. Feb 1 2018 In : Food and Chemical Toxicology. 112, p. 526-534 9 p.

Research output: Contribution to journalArticle

Slip forming
cosmetics
Pesticides
Cosmetics
pesticides
1 Citations

Chemotext: A Publicly Available Web Server for Mining Drug-Target-Disease Relationships in PubMed

Capuzzi, S. J., Thornton, T. E., Liu, K., Baker, N., Lam, W. I., O'Banion, C. P., Muratov, E. N., Pozefsky, D. & Tropsha, A. Feb 26 2018 In : Journal of Chemical Information and Modeling. 58, 2, p. 212-218 7 p.

Research output: Contribution to journalArticle

Slip forming
Chemical engineering
chemistry
Servers
drug