• 14082 Citations
  • 56 h-Index
1984 …2018
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  • 6 Similar Profiles
Quantitative Structure-Activity Relationship Medicine & Life Sciences
Ligands Medicine & Life Sciences
Drug Discovery Medicine & Life Sciences
Proteins Medicine & Life Sciences
Screening Chemical Compounds
Databases Medicine & Life Sciences
Pharmaceutical Preparations Medicine & Life Sciences
Small Molecule Libraries Medicine & Life Sciences

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Projects 1992 2016

Research Output 1984 2018

6 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
Pharmaceutical Preparations
Data Mining
1 Citations

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
9 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

Chemistry, information and Frank: a tribute to Frank Brown

Agrafiotis, D. K., Holloway, M. K., Johnson, S. A., Reynolds, C. H., Stouch, T. R., Tropsha, A. & Waller, C. L., Jul 1 2018, In : Journal of Computer-Aided Molecular Design. 32, 7, p. 723-729 7 p.

Research output: Contribution to journalEditorial