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  • 4 Similar Profiles
Quantitative Structure-Activity Relationship Medicine & Life Sciences
Ligands Medicine & Life Sciences
Proteins Medicine & Life Sciences
Screening Chemical Compounds
Drug Discovery Medicine & Life Sciences
Small Molecule Libraries Medicine & Life Sciences
Databases Medicine & Life Sciences
Pharmaceutical Preparations Medicine & Life Sciences

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Projects 1992 2016

Research Output 1984 2017

7 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: Contribution to journalArticle

Computational efficiency
Visualization
Pharmaceutical Preparations
scientific community
visualization
6 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: Contribution to journalArticle

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: Contribution to journalArticle

Chemical compounds
Descriptors
Extremes
Prediction
Muscarinic Receptors
11 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: Contribution to journalReview article

Toxicity
toxicology
toxicity
Chemical hazards
Poisons

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: Contribution to journalArticle

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