| Year |
Citation |
Score |
| 2020 |
van Deursen R, Ertl P, Tetko IV, Godin G. GEN: highly efficient SMILES explorer using autodidactic generative examination networks. Journal of Cheminformatics. 12: 22. PMID 33430998 DOI: 10.1186/S13321-020-00425-8 |
0.358 |
|
| 2020 |
Muratov EN, Bajorath J, Sheridan RP, Tetko IV, Filimonov D, Poroikov V, Oprea TI, Baskin II, Varnek A, Roitberg A, Isayev O, Curtalolo S, Fourches D, Cohen Y, Aspuru-Guzik A, et al. QSAR without borders. Chemical Society Reviews. PMID 32356548 DOI: 10.1039/D0Cs00098A |
0.355 |
|
| 2020 |
Trush MM, Kovalishyn V, Hodyna D, Golovchenko OV, Chumachenko S, Tetko IV, Brovarets VS, Metelytsia L. In silico and in vitro studies of a number PILs as new antibacterials against MDR clinical isolate Acinetobacter baumannii. Chemical Biology & Drug Design. PMID 32168424 DOI: 10.1111/Cbdd.13678 |
0.382 |
|
| 2020 |
Škuta C, Cortés-Ciriano I, Dehaen W, Kříž P, van Westen GJP, Tetko IV, Bender A, Svozil D. QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping Journal of Cheminformatics. 12. DOI: 10.1186/S13321-020-00443-6 |
0.369 |
|
| 2020 |
Karpov P, Godin G, Tetko IV. Transformer-CNN: Swiss knife for QSAR modeling and interpretation Journal of Cheminformatics. 12. DOI: 10.1186/S13321-020-00423-W |
0.354 |
|
| 2019 |
Xia Z, Karpov P, Popowicz G, Tetko IV. Focused Library Generator: case of Mdmx inhibitors. Journal of Computer-Aided Molecular Design. PMID 31677002 DOI: 10.1007/S10822-019-00242-8 |
0.324 |
|
| 2019 |
Karlov DS, Sosnin S, Tetko IV, Fedorov MV. Chemical space exploration guided by deep neural networks Rsc Advances. 9: 5151-5157. DOI: 10.1039/C8Ra10182E |
0.3 |
|
| 2018 |
Sosnin S, Karlov D, Tetko IV, Fedorov MV. A Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space. Journal of Chemical Information and Modeling. PMID 30589269 DOI: 10.1021/Acs.Jcim.8B00685 |
0.333 |
|
| 2018 |
Sosnin S, Vashurina M, Withnall M, Karpov P, Fedorov M, Tetko IV. A Survey of Multi-Task Learning Methods in Chemoinformatics. Molecular Informatics. PMID 30499195 DOI: 10.1002/Minf.201800108 |
0.372 |
|
| 2018 |
Gimadiev T, Madzhidov T, Tetko I, Nugmanov R, Casciuc I, Klimchuk O, Bodrov A, Polishchuk P, Antipin I, Varnek A. Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis. Molecular Informatics. PMID 30468317 DOI: 10.1002/Minf.201800104 |
0.313 |
|
| 2018 |
Ghosh D, Koch U, Hadian K, Sattler M, Tetko IV. Luciferase Advisor: High-Accuracy Model To Flag False Positive Hits in Luciferase HTS Assays. Journal of Chemical Information and Modeling. PMID 29667823 DOI: 10.1021/Acs.Jcim.7B00574 |
0.37 |
|
| 2018 |
Kovalishyn V, Grouleff J, Semenyuta I, Sinenko VO, Slivchuk SR, Hodyna D, Brovarets V, Blagodatny V, Poda G, Tetko IV, Metelytsia L. Rational design of isonicotinic acid hydrazide derivatives with anti-tubercular activity: Machine learning, molecular docking, synthesis and biological testing. Chemical Biology & Drug Design. PMID 29536635 DOI: 10.1111/Cbdd.13188 |
0.335 |
|
| 2017 |
Kovalishyn V, Abramenko N, Kopernyk I, Charochkina L, Metelytsia L, Tetko IV, Peijnenburg W, Kustov L. Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform. Food and Chemical Toxicology : An International Journal Published For the British Industrial Biological Research Association. PMID 28802948 DOI: 10.1016/J.Fct.2017.08.008 |
0.344 |
|
| 2017 |
Withnall M, Chen H, Tetko IV. Matched Molecular Pair Analysis on Large Melting Point Datasets: a Big Data Perspective. Chemmedchem. PMID 28650584 DOI: 10.1002/Cmdc.201700303 |
0.313 |
|
| 2016 |
Tetko IV, Maran U, Tropsha A. Public (Q)SAR Services, Integrated Modeling Environments, and Model Repositories on the Web: State of the Art and Perspectives for Future Development. Molecular Informatics. PMID 27778468 DOI: 10.1002/Minf.201600082 |
0.304 |
|
| 2016 |
Tetko IV, Engkvist O, Koch U, Reymond JL, Chen H. BIGCHEM: Challenges and Opportunities for Big Data Analysis in Chemistry. Molecular Informatics. PMID 27464907 DOI: 10.1002/Minf.201600073 |
0.34 |
|
| 2016 |
Baskin II, Winkler D, Tetko IV. A renaissance of neural networks in drug discovery. Expert Opinion On Drug Discovery. 11: 785-95. PMID 27295548 DOI: 10.1080/17460441.2016.1201262 |
0.318 |
|
| 2016 |
Novotarskyi S, Abdelaziz A, Sushko Y, Körner R, Vogt J, Tetko IV. ToxCast EPA in Vitro to in Vivo Challenge: Insight into the Rank-I Model. Chemical Research in Toxicology. 29: 768-75. PMID 27120770 DOI: 10.1021/Acs.Chemrestox.5B00481 |
0.353 |
|
| 2016 |
Tetko IV, M Lowe D, Williams AJ. The development of models to predict melting and pyrolysis point data associated with several hundred thousand compounds mined from PATENTS. Journal of Cheminformatics. 8: 2. PMID 26807157 DOI: 10.1186/S13321-016-0113-Y |
0.411 |
|
| 2016 |
Tetko IV, Varbanov HP, Galanski M, Talmaciu M, Platts JA, Ravera M, Gabano E. Prediction of logP for Pt(II) and Pt(IV) complexes: Comparison of statistical and quantum-chemistry based approaches. Journal of Inorganic Biochemistry. 156: 1-13. PMID 26717258 DOI: 10.1016/J.Jinorgbio.2015.12.006 |
0.33 |
|
| 2016 |
Abdelaziz A, Spahn-Langguth H, Schramm K, Tetko IV. Consensus Modeling for HTS Assays Using In silico Descriptors Calculates the Best Balanced Accuracy in Tox21 Challenge Frontiers in Environmental Science. 4. DOI: 10.3389/Fenvs.2016.00002 |
0.356 |
|
| 2015 |
Salmina ES, Haider N, Tetko IV. Extended Functional Groups (EFG): An Efficient Set for Chemical Characterization and Structure-Activity Relationship Studies of Chemical Compounds. Molecules (Basel, Switzerland). 21: E1. PMID 26703557 DOI: 10.3390/Molecules21010001 |
0.344 |
|
| 2015 |
Rybacka A, Rudén C, Tetko IV, Andersson PL. Identifying potential endocrine disruptors among industrial chemicals and their metabolites - development and evaluation of in silico tools. Chemosphere. 139: 372-8. PMID 26210185 DOI: 10.1016/J.Chemosphere.2015.07.036 |
0.32 |
|
| 2015 |
Abdelaziz A, Sushko Y, Novotarskyi S, Körner R, Brandmaier S, Tetko IV. Using Online Tool (iPrior) for Modeling ToxCast™ Assays Towards Prioritization of Animal Toxicity Testing. Combinatorial Chemistry & High Throughput Screening. 18: 420-38. PMID 25747436 DOI: 10.2174/1386207318666150305155255 |
0.355 |
|
| 2015 |
Nizami B, Tetko IV, Koorbanally NA, Honarparvar B. QSAR models and scaffold-based analysis of non-nucleoside HIV RT inhibitors Chemometrics and Intelligent Laboratory Systems. 148: 134-144. DOI: 10.1016/J.Chemolab.2015.09.011 |
0.323 |
|
| 2014 |
Vorberg S, Tetko IV. Modeling the Biodegradability of Chemical Compounds Using the Online CHEmical Modeling Environment (OCHEM). Molecular Informatics. 33: 73-85. PMID 27485201 DOI: 10.1002/Minf.201300030 |
0.402 |
|
| 2014 |
Sushko Y, Novotarskyi S, Körner R, Vogt J, Abdelaziz A, Tetko IV. Prediction-driven matched molecular pairs to interpret QSARs and aid the molecular optimization process. Journal of Cheminformatics. 6: 48. PMID 25544551 DOI: 10.1186/S13321-014-0048-0 |
0.325 |
|
| 2014 |
Tetko IV, Sushko Y, Novotarskyi S, Patiny L, Kondratov I, Petrenko AE, Charochkina L, Asiri AM. How accurately can we predict the melting points of drug-like compounds? Journal of Chemical Information and Modeling. 54: 3320-9. PMID 25489863 DOI: 10.1021/Ci5005288 |
0.385 |
|
| 2014 |
Cassotti M, Ballabio D, Consonni V, Mauri A, Tetko IV, Todeschini R. Prediction of acute aquatic toxicity toward Daphnia magna by using the GA-kNN method. Alternatives to Laboratory Animals : Atla. 42: 31-41. PMID 24773486 DOI: 10.1177/026119291404200106 |
0.337 |
|
| 2013 |
Brandmaier S, Tetko IV. Robustness in experimental design: A study on the reliability of selection approaches. Computational and Structural Biotechnology Journal. 7: e201305002. PMID 24688738 DOI: 10.1016/S0092-8674(18)90002-4 |
0.339 |
|
| 2013 |
Schorpp K, Rothenaigner I, Salmina E, Reinshagen J, Low T, Brenke JK, Gopalakrishnan J, Tetko IV, Gul S, Hadian K. Identification of Small-Molecule Frequent Hitters from AlphaScreen High-Throughput Screens. Journal of Biomolecular Screening. 19: 715-726. PMID 24371213 DOI: 10.1177/1087057113516861 |
0.302 |
|
| 2013 |
Tetko IV, Novotarskyi S, Sushko I, Ivanov V, Petrenko AE, Dieden R, Lebon F, Mathieu B. Development of dimethyl sulfoxide solubility models using 163,000 molecules: using a domain applicability metric to select more reliable predictions. Journal of Chemical Information and Modeling. 53: 1990-2000. PMID 23855787 DOI: 10.1021/Ci400213D |
0.43 |
|
| 2013 |
Tetko IV, Sopasakis P, Kunwar P, Brandmaier S, Novoratskyi S, Charochkina L, Prokopenko V, Peijnenburg WJ. Prioritisation of polybrominated diphenyl ethers (PBDEs) by using the QSPR-THESAURUS web tool. Alternatives to Laboratory Animals : Atla. 41: 127-35. PMID 23614549 DOI: 10.1177/026119291304100112 |
0.309 |
|
| 2013 |
Cassani S, Kovarich S, Papa E, Roy PP, Rahmberg M, Nilsson S, Sahlin U, Jeliazkova N, Kochev N, Pukalov O, Tetko I, Brandmaier S, Durjava MK, Kolar B, Peijnenburg W, et al. Evaluation of CADASTER QSAR models for the aquatic toxicity of (benzo)triazoles and prioritisation by consensus prediction. Alternatives to Laboratory Animals : Atla. 41: 49-64. PMID 23614544 DOI: 10.1177/026119291304100107 |
0.396 |
|
| 2013 |
Brandmaier S, Novotarskyi S, Sushko I, Tetko IV. From descriptors to predicted properties: experimental design by using applicability domain estimation. Alternatives to Laboratory Animals : Atla. 41: 33-47. PMID 23614543 DOI: 10.1177/026119291304100106 |
0.397 |
|
| 2013 |
Oprisiu I, Novotarskyi S, Tetko IV. Modeling of non-additive mixture properties using the Online CHEmical database and Modeling environment (OCHEM). Journal of Cheminformatics. 5: 4. PMID 23321019 DOI: 10.1186/1758-2946-5-4 |
0.382 |
|
| 2013 |
Martel S, Gillerat F, Carosati E, Maiarelli D, Tetko IV, Mannhold R, Carrupt PA. Large, chemically diverse dataset of logP measurements for benchmarking studies. European Journal of Pharmaceutical Sciences : Official Journal of the European Federation For Pharmaceutical Sciences. 48: 21-9. PMID 23131797 DOI: 10.1016/J.Ejps.2012.10.019 |
0.382 |
|
| 2013 |
Abdelaziz AM, Safanyaev A, Palyulin V, Tetko IV. Building QSAR for HTS in vitro assays - a study for the prediction of Aryl hydrocarbon receptor activators Journal of Cheminformatics. 5. DOI: 10.1186/1758-2946-5-S1-P51 |
0.356 |
|
| 2013 |
Novotarskyi S, Sushko I, Koerner R, Tetko IV. Chemogenomic approach to increase accuracy of QSAR modeling of inhibition activity against five major P450 isoforms Journal of Cheminformatics. 5. DOI: 10.1186/1758-2946-5-S1-P23 |
0.394 |
|
| 2012 |
Sushko I, Salmina E, Potemkin VA, Poda G, Tetko IV. ToxAlerts: a Web server of structural alerts for toxic chemicals and compounds with potential adverse reactions. Journal of Chemical Information and Modeling. 52: 2310-6. PMID 22876798 DOI: 10.1021/Ci300245Q |
0.35 |
|
| 2012 |
Brandmaier S, Sahlin U, Tetko IV, Öberg T. PLS-optimal: a stepwise D-optimal design based on latent variables. Journal of Chemical Information and Modeling. 52: 975-83. PMID 22462577 DOI: 10.1021/Ci3000198 |
0.353 |
|
| 2012 |
Abdelaziz A, Sushko I, Teetz W, Körner R, Novotarskyi S, Tetko IV. QSAR modeling for In vitro assays: linking ToxCast™ database to the integrated modeling framework “OCHEM” Journal of Cheminformatics. 4. DOI: 10.1186/1758-2946-4-S1-P62 |
0.379 |
|
| 2012 |
Brandmaier S, Tetko IV, Öberg T. An evaluation of experimental design in QSAR modelling utilizing thek-medoid clustering Journal of Chemometrics. 26: 509-517. DOI: 10.1002/Cem.2459 |
0.334 |
|
| 2011 |
Bhhatarai B, Teetz W, Liu T, Öberg T, Jeliazkova N, Kochev N, Pukalov O, Tetko IV, Kovarich S, Papa E, Gramatica P. CADASTER QSPR Models for Predictions of Melting and Boiling Points of Perfluorinated Chemicals. Molecular Informatics. 30: 189-204. PMID 27466773 DOI: 10.1002/Minf.201000133 |
0.404 |
|
| 2011 |
Sushko I, Novotarskyi S, Körner R, Pandey AK, Rupp M, Teetz W, Brandmaier S, Abdelaziz A, Prokopenko VV, Tanchuk VY, Todeschini R, Varnek A, Marcou G, Ertl P, Potemkin V, ... ... Tetko IV, et al. Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information. Journal of Computer-Aided Molecular Design. 25: 533-54. PMID 21660515 DOI: 10.1186/1758-2946-3-S1-P20 |
0.348 |
|
| 2011 |
Novotarskyi S, Sushko I, Körner R, Pandey AK, Tetko IV. A comparison of different QSAR approaches to modeling CYP450 1A2 inhibition. Journal of Chemical Information and Modeling. 51: 1271-80. PMID 21598906 DOI: 10.1021/Ci200091H |
0.384 |
|
| 2011 |
Rupp M, Körner R, Tetko IV. Predicting the pKa of small molecule. Combinatorial Chemistry & High Throughput Screening. 14: 307-27. PMID 21470178 DOI: 10.2174/138620711795508403 |
0.361 |
|
| 2010 |
Sushko I, Novotarskyi S, Körner R, Pandey AK, Cherkasov A, Li J, Gramatica P, Hansen K, Schroeter T, Müller KR, Xi L, Liu H, Yao X, Öberg T, Hormozdiari F, ... ... Tetko IV, et al. Applicability domains for classification problems: Benchmarking of distance to models for Ames mutagenicity set. Journal of Chemical Information and Modeling. 50: 2094-111. PMID 21033656 DOI: 10.1021/Ci100253R |
0.408 |
|
| 2010 |
Villa AE, Tetko IV. Cross-frequency coupling in mesiotemporal EEG recordings of epileptic patients. Journal of Physiology, Paris. 104: 197-202. PMID 19944158 DOI: 10.1016/J.Jphysparis.2009.11.024 |
0.476 |
|
| 2010 |
Novotarskyi S, Sushko I, Körner R, Kumar AP, Rupp M, Prokopenko V, Tetko I. OCHEM - on-line CHEmical database & modeling environment Journal of Cheminformatics. 2. DOI: 10.1186/1758-2946-2-S1-P5 |
0.352 |
|
| 2010 |
Sushko I, Novotarskyi S, Pandey A, Körner R, Tetko I. Applicability domain for classification problems Journal of Cheminformatics. 2. DOI: 10.1186/1758-2946-2-S1-P41 |
0.375 |
|
| 2010 |
Novotarskyi S, Sushko I, Körner R, Pandey A, Tetko I. Classification of CYP450 1A2 inhibitors using PubChem data Journal of Cheminformatics. 2. DOI: 10.1186/1758-2946-2-S1-P40 |
0.387 |
|
| 2010 |
Sushko I, Novotarskyi S, Körner R, Pandey AK, Kovalishyn VV, Prokopenko VV, Tetko IV. Applicability domain for in silico models to achieve accuracy of experimental measurements Journal of Chemometrics. 24: 202-208. DOI: 10.1002/Cem.1296 |
0.368 |
|
| 2009 |
Tetko IV, Poda GI, Ostermann C, Mannhold R. Large-scale evaluation of log P predictors: local corrections may compensate insufficient accuracy and need of experimentally testing every other compound. Chemistry & Biodiversity. 6: 1837-44. PMID 19937825 DOI: 10.1002/Cbdv.200900075 |
0.353 |
|
| 2009 |
Varnek A, Gaudin C, Marcou G, Baskin I, Pandey AK, Tetko IV. Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficients. Journal of Chemical Information and Modeling. 49: 133-44. PMID 19125628 DOI: 10.1021/Ci8002914 |
0.361 |
|
| 2009 |
Mannhold R, Poda GI, Ostermann C, Tetko IV. Calculation of molecular lipophilicity: State-of-the-art and comparison of log P methods on more than 96,000 compounds. Journal of Pharmaceutical Sciences. 98: 861-93. PMID 18683876 DOI: 10.1002/Jps.21494 |
0.351 |
|
| 2009 |
Mannhold M, Poda G, Ostermann C, Tetko I. Calculation of molecular lipophilicity: state of the art and comparison of methods on more than 96000 compounds Chemistry Central Journal. 3. DOI: 10.1186/1752-153X-3-S1-O7 |
0.353 |
|
| 2009 |
Tetko I, Poda G, Ostermann C, Mannhold R. Accurate In Silico log P
Predictions: One Can't Embrace the Unembraceable Qsar & Combinatorial Science. 28: 845-849. DOI: 10.1002/Qsar.200960003 |
0.332 |
|
| 2008 |
Tetko IV. Associative neural network. Methods in Molecular Biology (Clifton, N.J.). 458: 185-202. PMID 19065811 DOI: 10.1023/A:1019903710291 |
0.319 |
|
| 2008 |
Tetko IV, Sushko I, Pandey AK, Zhu H, Tropsha A, Papa E, Oberg T, Todeschini R, Fourches D, Varnek A. Critical assessment of QSAR models of environmental toxicity against Tetrahymena pyriformis: focusing on applicability domain and overfitting by variable selection. Journal of Chemical Information and Modeling. 48: 1733-46. PMID 18729318 DOI: 10.1021/Ci800151M |
0.411 |
|
| 2008 |
Zhu H, Tropsha A, Fourches D, Varnek A, Papa E, Gramatica P, Oberg T, Dao P, Cherkasov A, Tetko IV. Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformis. Journal of Chemical Information and Modeling. 48: 766-84. PMID 18311912 DOI: 10.1021/Ci700443V |
0.41 |
|
| 2008 |
Tetko IV, Jaroszewicz I, Platts JA, Kuduk-Jaworska J. Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods. Journal of Inorganic Biochemistry. 102: 1424-37. PMID 18289687 DOI: 10.1186/1752-153X-2-S1-P13 |
0.368 |
|
| 2008 |
Varnek A, Fourches D, Horvath D, Klimchuk O, Gaudin C, Vayer P, Solov'ev V, Hoonakker F, Tetko I, Marcou G. ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors Current Computer Aided-Drug Design. 4: 191-198. DOI: 10.2174/157340908785747465 |
0.329 |
|
| 2007 |
Kovalishyn VV, Kholodovych V, Tetko IV, Welsh WJ. Volume learning algorithm significantly improved PLS model for predicting the estrogenic activity of xenoestrogens. Journal of Molecular Graphics & Modelling. 26: 591-4. PMID 17433745 DOI: 10.1016/J.Jmgm.2007.03.005 |
0.403 |
|
| 2007 |
Varnek A, Kireeva N, Tetko IV, Baskin II, Solov'ev VP. Exhaustive QSPR studies of a large diverse set of ionic liquids: how accurately can we predict melting points? Journal of Chemical Information and Modeling. 47: 1111-22. PMID 17381081 DOI: 10.1021/Ci600493X |
0.403 |
|
| 2007 |
Farré-Castany MA, Schwaller B, Gregory P, Barski J, Mariethoz C, Eriksson JL, Tetko IV, Wolfer D, Celio MR, Schmutz I, Albrecht U, Villa AE. Differences in locomotor behavior revealed in mice deficient for the calcium-binding proteins parvalbumin, calbindin D-28k or both. Behavioural Brain Research. 178: 250-61. PMID 17275105 DOI: 10.1016/J.Bbr.2007.01.002 |
0.486 |
|
| 2006 |
Tetko IV, Bruneau P, Mewes HW, Rohrer DC, Poda GI. Can we estimate the accuracy of ADME-Tox predictions? Drug Discovery Today. 11: 700-707. PMID 16846797 DOI: 10.1016/J.Drudis.2006.06.013 |
0.365 |
|
| 2006 |
Tetko IV, Solov'ev VP, Antonov AV, Yao X, Doucet JP, Fan B, Hoonakker F, Fourches D, Jost P, Lachiche N, Varnek A. Benchmarking of linear and nonlinear approaches for quantitative structure-property relationship studies of metal complexation with ionophores Journal of Chemical Information and Modeling. 46: 808-819. PMID 16563012 DOI: 10.1021/Ci0504216 |
0.386 |
|
| 2006 |
Balakin KV, Savchuk NP, Tetko IV. In silico approaches to prediction of aqueous and DMSO solubility of drug-like compounds: trends, problems and solutions. Current Medicinal Chemistry. 13: 223-41. PMID 16472214 DOI: 10.2174/092986706775197917 |
0.31 |
|
| 2006 |
Antonov AV, Tetko IV, Mewes HW. A systematic approach to infer biological relevance and biases of gene network structures Nucleic Acids Research. 34. PMID 16407322 DOI: 10.1093/Nar/Gnj002 |
0.339 |
|
| 2005 |
Tetko IV, Abagyan R, Oprea TI. Surrogate data--a secure way to share corporate data. Journal of Computer-Aided Molecular Design. 19: 749-64. PMID 16267691 DOI: 10.1007/S10822-005-9013-3 |
0.37 |
|
| 2005 |
Tetko IV, Gasteiger J, Todeschini R, Mauri A, Livingstone D, Ertl P, Palyulin VA, Radchenko EV, Zefirov NS, Makarenko AS, Tanchuk VY, Prokopenko VV. Virtual computational chemistry laboratory--design and description. Journal of Computer-Aided Molecular Design. 19: 453-63. PMID 16231203 DOI: 10.1007/S10822-005-8694-Y |
0.302 |
|
| 2005 |
Tetko IV, Brauner B, Dunger-Kaltenbach I, Frishman G, Montrone C, Fobo G, Ruepp A, Antonov AV, Surmeli D, Mewes HW. MIPS bacterial genomes functional annotation benchmark dataset Bioinformatics. 21: 2520-2521. PMID 15769832 DOI: 10.1093/Bioinformatics/Bti380 |
0.313 |
|
| 2004 |
Tetko IV, Bruneau P. Application of ALOGPS to predict 1-octanol/water distribution coefficients, logP, and logD, of AstraZeneca in-house database. Journal of Pharmaceutical Sciences. 93: 3103-10. PMID 15514985 DOI: 10.1002/Jps.20217 |
0.375 |
|
| 2004 |
Tetko IV, Poda GI. Application of ALOGPS 2.1 to predict log D distribution coefficient for Pfizer proprietary compounds. Journal of Medicinal Chemistry. 47: 5601-4. PMID 15509156 DOI: 10.1021/Jm049509L |
0.329 |
|
| 2004 |
Antonov AV, Tetko IV, Prokopenko VV, Kosykh D, Mewes HW. A web portal for classification of expression data using maximal margin linear programming Bioinformatics. 20: 3284-3285. PMID 15217811 DOI: 10.1093/Bioinformatics/Bth376 |
0.312 |
|
| 2004 |
Storozhuk VM, Khorevin VI, Rozumna NM, Villa AE, Tetko IV. Dopamine modulation of glutamate metabotropic receptors in conditioned reaction of sensory motor cortex neurons of the cat. Neuroscience Letters. 356: 127-30. PMID 14746880 DOI: 10.1016/J.Neulet.2003.11.039 |
0.484 |
|
| 2003 |
Tetko IV. The WWW as a tool to obtain molecular parameters. Mini Reviews in Medicinal Chemistry. 3: 809-20. PMID 14529500 DOI: 10.2174/1389557033487638 |
0.311 |
|
| 2003 |
Aksenova TI, Chibirova OK, Dryga OA, Tetko IV, Benabid AL, Villa AE. An unsupervised automatic method for sorting neuronal spike waveforms in awake and freely moving animals. Methods (San Diego, Calif.). 30: 178-87. PMID 12725785 DOI: 10.1016/S1046-2023(03)00079-3 |
0.548 |
|
| 2002 |
Tetko IV, Tanchuk VY. Application of associative neural networks for prediction of lipophilicity in ALOGPS 2.1 program. Journal of Chemical Information and Computer Sciences. 42: 1136-45. PMID 12377001 DOI: 10.1021/Ci025515J |
0.41 |
|
| 2002 |
Tetko IV. Neural network studies. 4. Introduction to associative neural networks. Journal of Chemical Information and Computer Sciences. 42: 717-28. PMID 12086534 DOI: 10.1021/Ci010379O |
0.357 |
|
| 2002 |
Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. Estimation of aqueous solubility of chemical compounds using E-state indices. Journal of Chemical Information and Computer Sciences. 41: 1488-93. PMID 11749573 DOI: 10.1021/Ci000392T |
0.587 |
|
| 2002 |
Kovalishin VV, Tetko IV, Luĭk AI, Chretien JR, Livingstone DJ. [Application of neural networks using the volume learning algorithm for the study of structure-activity relationship in chemical compounds]. Bioorganicheskaia Khimiia. 27: 303-13. PMID 11558265 DOI: 10.1023/A:1011312705555 |
0.385 |
|
| 2001 |
Tetko IV, Tanchuk VY, Villa AE. Prediction of n-octanol/water partition coefficients from PHYSPROP database using artificial neural networks and E-state indices. Journal of Chemical Information and Computer Sciences. 41: 1407-21. PMID 11604042 DOI: 10.1021/Ci010368V |
0.599 |
|
| 2001 |
Tetko IV, Kovalishyn VV, Livingstone DJ. Volume learning algorithm artificial neural networks for 3D QSAR studies. Journal of Medicinal Chemistry. 44: 2411-20. PMID 11448223 DOI: 10.1021/Jm010858E |
0.364 |
|
| 2001 |
Tetko IV, Tanchuk VY, Kasheva TN, Villa AE. Internet software for the calculation of the lipophilicity and aqueous solubility of chemical compounds. Journal of Chemical Information and Computer Sciences. 41: 246-52. PMID 11277705 DOI: 10.1021/Ci000393L |
0.541 |
|
| 2001 |
Tetko IV, Villa AE. A pattern grouping algorithm for analysis of spatiotemporal patterns in neuronal spike trains. 2. Application to simultaneous single unit recordings. Journal of Neuroscience Methods. 105: 15-24. PMID 11166362 DOI: 10.1016/S0165-0270(00)00337-X |
0.548 |
|
| 2001 |
Tetko IV, Villa AE. A pattern grouping algorithm for analysis of spatiotemporal patterns in neuronal spike trains. 1. Detection of repeated patterns. Journal of Neuroscience Methods. 105: 1-14. PMID 11166361 DOI: 10.1016/S0165-0270(00)00336-8 |
0.551 |
|
| 2001 |
Villa AE, Tetko IV, Dutoit P, Vantini G. Non-linear cortico-cortical interactions modulated by cholinergic afferences from the rat basal forebrain. Bio Systems. 58: 219-28. PMID 11164650 DOI: 10.1016/S0303-2647(00)00126-X |
0.503 |
|
| 2001 |
Kovalishin VV, Tetko IV, Luik AI, Artemenko AG, Kuz'min VE. Pharmaceutical Chemistry Journal. 35: 78-84. DOI: 10.1023/A:1010420904703 |
0.412 |
|
| 2001 |
Tetko IV, Villa AEP. Pattern grouping algorithm and de-convolution filtering of non-stationary correlated Poisson processes Neurocomputing. 38: 1709-1714. DOI: 10.1016/S0925-2312(01)00536-7 |
0.305 |
|
| 2001 |
Villa AEP, Tetko IV, Iglesias J. Computer assisted neurophysiological analysis of cell assemblies activity Neurocomputing. 38: 1025-1030. DOI: 10.1016/S0925-2312(01)00379-4 |
0.301 |
|
| 2001 |
Dimoglo A, Shvets N, Tetko I, Livingstone D. Electronic-Topological Investigation of theStructure - Acetylcholinesterase Inhibitor Activity Relationship in the Series of N-Benzylpiperidine Derivatives Quantitative Structure-Activity Relationship. 20: 31-45. DOI: 10.1002/1521-3838(200105)20:1<31::Aid-Qsar31>3.0.Co;2-S |
0.323 |
|
| 2000 |
Tetko IV, Aksenova TI, Volkovich VV, Kasheva TN, Filipov DV, Welsh WJ, Livingstone DJ, Villa AEP. Polynomial neural network for linear and non-linear model selection in quantitative-structure activity relationship studies on the internet Sar and Qsar in Environmental Research. 11: 263-280. PMID 10969875 DOI: 10.1080/10629360008033235 |
0.373 |
|
| 2000 |
Huuskonen JJ, Livingstone DJ, Tetko IV. Neural network modeling for estimation of partition coefficient based on atom-type electrotopological state indices Journal of Chemical Information and Computer Sciences. 40: 947-55. PMID 10955523 DOI: 10.1021/Ci9904261 |
0.396 |
|
| 2000 |
Kuz’min VE, Artemenko AG, Kovdienko NA, Tetko IV, Livingstone DJ. Lattice Model for QSAR Studies Journal of Molecular Modeling. 6: 517-526. DOI: 10.1007/S0089400060517 |
0.339 |
|
| 1999 |
Tetko IV, Aksenova TI, Patiokha AA, Villa AEP, Welsh WJ, Ziellnski WL, Livingstone DJ. Pharmaceutical fingerprinting in phase space. 2. Pattern recognition Analytical Chemistry. 71: 2431-2438. PMID 10405609 DOI: 10.1021/Ac981346J |
0.378 |
|
| 1999 |
Villa AE, Tetko IV, Dutoit P, De Ribaupierre Y, De Ribaupierre F. Corticofugal modulation of functional connectivity within the auditory thalamus of rat, guinea pig and cat revealed by cooling deactivation. Journal of Neuroscience Methods. 86: 161-78. PMID 10065984 DOI: 10.1016/S0165-0270(98)00164-2 |
0.541 |
|
| 1999 |
Huuskonen JJ, Villa AE, Tetko IV. Prediction of partition coefficient based on atom-type electrotopological state indices. Journal of Pharmaceutical Sciences. 88: 229-33. PMID 9950643 DOI: 10.1021/Js980266S |
0.575 |
|
| 1999 |
Villa AE, Tetko IV, Hyland B, Najem A. Spatiotemporal activity patterns of rat cortical neurons predict responses in a conditioned task. Proceedings of the National Academy of Sciences of the United States of America. 96: 1106-11. PMID 9927701 DOI: 10.1073/Pnas.96.3.1106 |
0.526 |
|
| 1999 |
Jeandenans L, Gautero M, Grize F, Tetko IV, Villa AE. Computer assisted neurophysiology by a distributed Java program. Computers and Biomedical Research, An International Journal. 31: 465-75. PMID 9843630 DOI: 10.1006/Cbmr.1998.1494 |
0.349 |
|
| 1999 |
Ivakhnenko AG, Kovalishyn VV, Tetko IV, Luik AI, Ivakhnenko GA, Ivakhnenko NA. Application of Self-Organizing Neural Networks with Active Neurons for Prediction of Bioactivity of Chemical Compounds by the Analogues Search Algorithm Journal of Automation and Information Sciences. 31: 51-58. DOI: 10.1615/Jautomatinfscien.V31.I7-9.90 |
0.364 |
|
| 1999 |
Celletti A, Froeschlé C, Tetko IV, Villa AE. Meccanica. 34: 145-152. DOI: 10.1023/A:1004668310653 |
0.488 |
|
| 1998 |
Villa AE, Hyland B, Tetko IV, Najem A. Dynamical cell assemblies in the rat auditory cortex in a reaction-time task. Bio Systems. 48: 269-77. PMID 9886657 DOI: 10.1016/S0303-2647(98)00074-4 |
0.519 |
|
| 1998 |
Tetko IV, Villa AEP, Aksenova TI, Zielinski WL, Brower J, Collantes ER, Welsh WJ. Application of a pruning algorithm to optimize artificial neural networks for pharmaceutical fingerprinting Journal of Chemical Information and Computer Sciences. 38: 660-668. PMID 9691475 DOI: 10.1021/Ci970439J |
0.356 |
|
| 1998 |
Celletti A, Tetko I, Villa AE. Analysis of the deterministic behaviour of experimental series Le Journal De Physique Iv. 8: Pr6-209-Pr6-213. DOI: 10.1051/Jp4:1998628 |
0.303 |
|
| 1998 |
Kovalishyn VV, Tetko IV, Luik AI, Kholodovych VV, Villa AEP, Livingstone DJ. Neural Network Studies. 3. Variable Selection in the Cascade-Correlation Learning Architecture Journal of Chemical Information and Computer Sciences. 38: 651-659. DOI: 10.1021/Ci980325N |
0.372 |
|
| 1997 |
Villa AE, Tetko IV. Efficient Partition of Learning Data Sets for Neural Network Training. Neural Networks : the Official Journal of the International Neural Network Society. 10: 1361-1374. PMID 12662480 DOI: 10.1016/S0893-6080(97)00005-1 |
0.572 |
|
| 1997 |
Livingstone DJ, Manallack DT, Tetko IV. Data modelling with neural networks: advantages and limitations. Journal of Computer-Aided Molecular Design. 11: 135-42. PMID 9089431 DOI: 10.1023/A:1008074223811 |
0.351 |
|
| 1997 |
Tetko IV, Villa AE, Tetko IV. Neural Processing Letters. 6: 51-59. DOI: 10.1023/A:1009619010371 |
0.576 |
|
| 1997 |
Tetko IV, Villa AE, Tetko IV. Neural Processing Letters. 6: 43-50. DOI: 10.1023/A:1009610808553 |
0.557 |
|
| 1997 |
Tetko IV, Villa AEP. Fast combinatorial methods to estimate the probability of complex temporal patterns of spikes Biological Cybernetics. 76: 397-408. DOI: 10.1007/S004220050353 |
0.309 |
|
| 1997 |
Kholodovich VV, Tanchuk VY, Kovalishin VV, Tetko IV, Poyarkova SA, Metelitsa LA, Luik AI. Application of topological indexes to predict immunomodulating activity of new peptides Theoretical and Experimental Chemistry. 33: 86-89. DOI: 10.1007/Bf02765951 |
0.352 |
|
| 1996 |
Tetko IV, Villa AE, Livingstone DJ. Neural network studies. 2. Variable selection. Journal of Chemical Information and Computer Sciences. 36: 794-803. PMID 8768768 DOI: 10.1021/Ci950204C |
0.378 |
|
| 1995 |
Tetko IV, Livingstone DJ, Luik AI. Neural network studies. 1. Comparison of overfitting and overtraining Journal of Chemical Information and Modeling. 35: 826-833. DOI: 10.1021/Ci00027A006 |
0.401 |
|
| 1994 |
Tetko IV, Chentsova NP, Antonenko SV, Poda GI, Kukhar VP, Luik AI. HIV-1 reverse transcriptase inhibitor design using artificial neural networks. Journal of Medicinal Chemistry. 37: 2520-6. PMID 7520081 DOI: 10.1021/Jm00042A005 |
0.371 |
|
| 1994 |
Poda GI, Tanchuk VY, Tetko IV, Koshel' MI, Luik AI. Use of topological indexes for prediction of the activity of 5-lipoxygenase inhibitors in a series of hydroxamates Theoretical and Experimental Chemistry. 29: 84-86. DOI: 10.1007/Bf00530600 |
0.33 |
|
| 1994 |
Tetko IV, Poda GI, Tanchuk VY, Luik AI. Modified Hopfinger analysis of the phosphodiesterase inhibiting activity of flavonoids Theoretical and Experimental Chemistry. 29: 45-50. DOI: 10.1007/Bf00520261 |
0.33 |
|
| 1993 |
Tetko IV, Luik AI, Poda GI. Applications of neural networks in structure-activity relationships of a small number of molecules. Journal of Medicinal Chemistry. 36: 811-4. PMID 8464034 DOI: 10.1021/Jm00059A003 |
0.377 |
|
| Show low-probability matches. |