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1.
Novotarskyi, S.* et al.: ToxCast EPA in vitro to in vivo challenge: Insight into the rank-I model. Chem. Res. Toxicol. 29, 768-775 (2016)
2.
Abdelaziz, A.* et al.: Using online tool (iPrior) for modeling ToxCast™ assays towards prioritization of animal toxicity testing. Comb. Chem. High Throughput Screen. 18, 420-438 (2015)
3.
Brandmaier, S. et al.: The QSPR-THESAURUS: The online platform of the CADASTER project. ATLA-Altern. Lab. Anim. 42, 13-24 (2014)
4.
Sushko, Y.* et al.: Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process. J. Cheminformatics 6:48 (2014)
5.
Tetko, I.V. et al.: How accurately can we predict the melting points of drug-like compounds? J. Chem. Inf. Model. 54, 3320-3329 (2014)
6.
Brandmaier, S. ; Novotarskyi, S.* ; Sushko, I.* & Tetko, I.V.: From descriptors to predicted properties: Experimental design by using applicability domain estimation. ATLA-Altern. Lab. Anim. 41, 33-47 (2013)
7.
Novotarskyi, S.: QSAR approaches to predict human cytochrome P450 inhibition. München, Technische Universität, Fakultät Wissenschaftszentrum Weihenstephan, Diss., 2013, 153 S.
8.
Novotarskyi, S.* ; Sushko, I.* ; Körner, R.* & Tetko, I.V.: Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms. Poster: (2013)
9.
Oprisiu, I. ; Novotarskyi, S.* & Tetko, I.V.: Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM). J. Cheminformatics 5:4 (2013)
10.
Tetko, I.V. et al.: Development of dimethyl sulfoxide solubility models using 163 000 molecules: Using a domain applicability metric to select more reliable predictions. J. Chem. Inf. Model. 53, 1990-2000 (2013)
11.
Abdelaziz, A. et al.: QSAR modeling for in vitro assays: Linking ToxCast™ database to the integrated modeling framework “OCHEM”. Poster: (2012)
12.
Körner, R. ; Sushko, I.* ; Novotarskyi, S. & Tetko, I.V.: In silico pKa prediction. Poster: 7th German Conference on Cheminformatics, 6 - 8 November 2011, Goslar. (2012)
13.
Novotarskyi, S. ; Sushko, I. ; Körner, R. ; Pandey, A.K. & Tetko, I.V.: A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition. J. Chem. Inf. Model. 51, 1271-1280 (2011)
14.
Sushko, I. et al.: Online chemical modeling environment (OCHEM): Web platform for data storage, model development and publishing of chemical information. J. Comput.-Aided Mol. Des. 25, 533-554 (2011)
15.
Sushko, I. et al.: Applicability domain for in silico models to achieve accuracy of experimental measurements. J. Chemometr. 24, 202-208 (2010)
16.
Sushko, I. et al.: Applicability domains for classification problems: Benchmarking of distance to models for ames mutagenicity set. J. Chem. Inf. Model. 50, 2094-2111 (2010)