Tetko IV - Search Results

1

More Is Not Always Better: Local Models Provide Accurate Predictions of Spectral Properties of Porphyrins.

Rusanov AI, Dmitrieva OA, Mamardashvili NZ, Tetko IV. Rusanov AI, et al. Among authors: tetko iv. Int J Mol Sci. 2022 Jan 21;23(3):1201. doi: 10.3390/ijms23031201. Int J Mol Sci. 2022. PMID: 35163123 Free PMC article.

2

Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR Acinetobacter Baumannii and Staphylococcus Aureus.

Semenyuta IV, Trush MM, Kovalishyn VV, Rogalsky SP, Hodyna DM, Karpov P, Xia Z, Tetko IV, Metelytsia LO. Semenyuta IV, et al. Among authors: tetko iv. Int J Mol Sci. 2021 Jan 8;22(2):563. doi: 10.3390/ijms22020563. Int J Mol Sci. 2021. PMID: 33429999 Free PMC article.

3

Can we estimate the accuracy of ADME-Tox predictions?

Tetko IV, Bruneau P, Mewes HW, Rohrer DC, Poda GI. Tetko IV, et al. Drug Discov Today. 2006 Aug;11(15-16):700-7. doi: 10.1016/j.drudis.2006.06.013. Drug Discov Today. 2006. PMID: 16846797 Review.

4

Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection.

Tetko IV, Sushko I, Pandey AK, Zhu H, Tropsha A, Papa E, Oberg T, Todeschini R, Fourches D, Varnek A. Tetko IV, et al. J Chem Inf Model. 2008 Sep;48(9):1733-46. doi: 10.1021/ci800151m. Epub 2008 Aug 26. J Chem Inf Model. 2008. PMID: 18729318 Free article.

5

Associative neural network.

Tetko IV. Tetko IV. Methods Mol Biol. 2008;458:185-202. doi: 10.1007/978-1-60327-101-1_10. Methods Mol Biol. 2008. PMID: 19065811

6

Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions.

Tetko IV, Novotarskyi S, Sushko I, Ivanov V, Petrenko AE, Dieden R, Lebon F, Mathieu B. Tetko IV, et al. J Chem Inf Model. 2013 Aug 26;53(8):1990-2000. doi: 10.1021/ci400213d. Epub 2013 Jul 15. J Chem Inf Model. 2013. PMID: 23855787 Free PMC article.

7

How accurately can we predict the melting points of drug-like compounds?

Tetko IV, Sushko Y, Novotarskyi S, Patiny L, Kondratov I, Petrenko AE, Charochkina L, Asiri AM. Tetko IV, et al. J Chem Inf Model. 2014 Dec 22;54(12):3320-9. doi: 10.1021/ci5005288. Epub 2014 Dec 9. J Chem Inf Model. 2014. PMID: 25489863 Free PMC article.

8

A renaissance of neural networks in drug discovery.

Baskin II, Winkler D, Tetko IV. Baskin II, et al. Among authors: tetko iv. Expert Opin Drug Discov. 2016 Aug;11(8):785-95. doi: 10.1080/17460441.2016.1201262. Epub 2016 Jul 4. Expert Opin Drug Discov. 2016. PMID: 27295548 Review.

9

BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry.

Tetko IV, Engkvist O, Koch U, Reymond JL, Chen H. Tetko IV, et al. Mol Inform. 2016 Dec;35(11-12):615-621. doi: 10.1002/minf.201600073. Epub 2016 Jul 28. Mol Inform. 2016. PMID: 27464907 Free PMC article.

10

Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development.

Tetko IV, Maran U, Tropsha A. Tetko IV, et al. Mol Inform. 2017 Mar;36(3). doi: 10.1002/minf.201600082. Epub 2016 Oct 25. Mol Inform. 2017. PMID: 27778468 Review.

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