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  • 3 Similar Profiles
Quantitative Structure-Activity Relationship Medicine & Life Sciences
Proteins Medicine & Life Sciences
Ligands Medicine & Life Sciences
Pharmaceutical Preparations Medicine & Life Sciences
Screening Chemical Compounds
Databases Medicine & Life Sciences
Drug Discovery Medicine & Life Sciences
Conformations Chemical Compounds

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Projects 1992 2016

Research Output 1984 2017

2 Citations

Chembench: A Publicly Accessible, Integrated Cheminformatics Portal

Capuzzi, S. J., Kim, I. S. J., Lam, W. I., Thornton, T. E., Muratov, E. N., Pozefsky, D. & Tropsha, A. Feb 27 2017 In : Journal of Chemical Information and Modeling. 57, 2, p. 105-108 4 p.

Research output: Research - peer-reviewArticle

Computational efficiency
Visualization
Pharmaceutical Preparations
Genomics
scientific community
4 Citations

New drug candidates for liposomal delivery identified by computer modeling of liposomes' remote loading and leakage

Cern, A., Marcus, D., Tropsha, A., Barenholz, Y. & Goldblum, A. Apr 28 2017 In : Journal of Controlled Release. 252, p. 18-27 10 p.

Research output: Research - peer-reviewArticle

Liposomes
Pharmaceutical Preparations
Chemical Databases
Databases
Pharmacology
2 Citations

Activity prediction and identification of mis-annotated chemical compounds using extreme descriptors

Borysov, P., Hannig, J., Marron, J. S., Muratov, E., Fourches, D. & Tropsha, A. Mar 1 2016 In : Journal of Chemometrics. 30, 3, p. 99-108 10 p.

Research output: Research - peer-reviewArticle

Descriptors
Extremes
Prediction
Chemical compounds
Muscarinic Receptors
7 Citations

Alarms about structural alerts

Alves, V. M., Muratov, E. N., Capuzzi, S. J., Politi, R., Low, Y., Braga, R. C., Zakharov, A. V., Sedykh, A., Mokshyna, E., Farag, S., Andrade, C. H., Kuz'Min, V. E., Fourches, D. & Tropsha, A. Jan 1 2016 In : Green Chemistry. 18, 16, p. 4348-4360 13 p.

Research output: Research - peer-reviewReview article

chemical
alarm
Toxicity
toxicity
toxicology

Cheminformatics-aided pharmacovigilance: Application to Stevens-Johnson Syndrome

Low, Y. S., Caster, O., Bergvall, T., Fourches, D., Zang, X., Norén, G. N., Rusyn, I., Edwards, R. & Tropsha, A. Sep 1 2016 In : Journal of the American Medical Informatics Association. 23, 5, p. 968-978 11 p., ocv127

Research output: Research - peer-reviewArticle

Pharmacovigilance
Stevens-Johnson Syndrome
Quantitative Structure-Activity Relationship
Pharmaceutical Preparations
Drug-Related Side Effects and Adverse Reactions