Elena Salmina
Elena Salmina
Russia
Modeling and interpretation of toxicity of chemical compounds using toxicophores
1) and 2)
Helmholtz Zentrum München
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1. Brenke, J. K.; Salmina, E. S.; Ringelstetter, L.; Dornauer, S.; Kuzikov, M.; Rothenaigner, I.; Schorpp, K.; Giehler, F.; Gopalakrishnan, J.; Kieser, A.; Gul, S.; Tetko, I. V.; Hadian, K., Identification of Small-Molecule Frequent Hitters of Glutathione S-Transferase-Glutathione Interaction. J. Biomol. Screen. 2016, 21 (6), 596-607.
2. Salmina, E. S.; Haider, N.; Tetko, I. V., Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds. Molecules 2016, 21 (1), 1.
3. Schorpp, K.; Rothenaigner, I.; Salmina, E.; Reinshagen, J.; Low, T.; Brenke, J. K.; Gopalakrishnan, J.; Tetko, I. V.; Gul, S.; Hadian, K., Identification of Small-Molecule Frequent Hitters from AlphaScreen High-Throughput Screens. J. Biomol. Screen. 2014, 19 (5), 715-26.
4. Sushko, I.; Salmina, E.; Potemkin, V. A.; Poda, G.; Tetko, I. V., ToxAlerts: A Web Server of Structural Alerts for Toxic Chemicals and Compounds with Potential Adverse Reactions. J. Chem. Inf. Model. 2012, 52 (8), 2310-6.