• 2263 Citations
  • 25 h-Index
20022018
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  • 2 Similar Profiles
Quantitative Structure-Activity Relationship Medicine & Life Sciences
Molecular Structure Medicine & Life Sciences
Molecular structure Chemical Compounds
Molecular graphics Chemical Compounds
Toxicity Chemical Compounds
Antiviral Agents Medicine & Life Sciences
Drug Repositioning Medicine & Life Sciences
Drug Discovery Medicine & Life Sciences

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Projects 2012 2016

Research Output 2002 2018

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
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

cosmetics
Pesticides
Cosmetics
pesticides
toxicity

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

Low, Y. S., Alves, V. M., Fourches, D., Sedykh, A., Andrade, C. H., Muratov, I., Rusyn, I. & Tropsha, A. E., Nov 26 2018, In : Journal of Chemical Information and Modeling. 58, 11, p. 2203-2213 11 p.

Research output: Contribution to journalArticle

Molecular graphics
activity structure
chemistry
drug
community
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, I., Pozefsky, D. P. & Tropsha, A. E., Feb 26 2018, In : Journal of Chemical Information and Modeling. 58, 2, p. 212-218 7 p.

Research output: Contribution to journalArticle

Servers
drug
Disease
Pharmaceutical Preparations

Computational drug discovery for the Zika virus

Mottin, M., Borba, J. V. V. B., Melo-Filho, C. C., Neves, B. J., Muratov, I., Torres, P. H. M., Braga, R. C., Perryman, A., Ekins, S. & Andrade, C. H., Jan 1 2018, In : Brazilian Journal of Pharmaceutical Sciences. 54, Special Issue, e01002.

Research output: Contribution to journalReview article

Computer-Aided Design
Flavivirus
Drug Discovery
Antiviral Agents
Arboviruses