DOI: 10.1007/s10822-005-8694-y. Virtual Computational Chemistry Laboratory

Virtual Computational Chemistry Laboratory – Design and Description

10.1007/s10822-005-8694-y

Crossref journal-article

Springer Science and Business Media LLC

Journal of Computer-Aided Molecular Design (297)

Bibliography

Tetko, I. V., Gasteiger, J., Todeschini, R., Mauri, A., Livingstone, D., Ertl, P., Palyulin, V. A., Radchenko, E. V., Zefirov, N. S., Makarenko, A. S., Tanchuk, V. Yu., & Prokopenko, V. V. (2005). Virtual Computational Chemistry Laboratory â Design and Description. Journal of Computer-Aided Molecular Design, 19(6), 453â463.

Authors 12

Igor V. Tetko (first)
Johann Gasteiger (additional)
Roberto Todeschini (additional)
Andrea Mauri (additional)
David Livingstone (additional)
Peter Ertl (additional)
Vladimir A. Palyulin (additional)
Eugene V. Radchenko (additional)
Nikolay S. Zefirov (additional)
Alexander S. Makarenko (additional)
Vsevolod Yu. Tanchuk (additional)
Volodymyr V. Prokopenko (additional)

References 33 Referenced 1,244

10.1021/ci980125b / J. Chem. Inf. Comput. Sci. by G. Wiggins (1998)
10.1039/b410732b / Org. Biomol. Chem. by P. Murray-Rust (2004)
McGovern, J., Java Web Services Architecture. Morgan Kaufmann, 2003 (10.1016/B978-155860900-6/50004-X)
10.2174/1389557033487638 / Mini Rev. Med. Chem. by I.V. Tetko (2003)
10.1016/S0925-2312(01)00379-4 / Neurocomputing by A.E.P. Villa (2001)
10.1021/ci000393l / J. Chem. Inf. Comput. Sci. by I.V. Tetko (2001)
Gordon, R., Essential JNI: Java Native Interface, 1st edn. Prentice Hall, Colorado, 1998
JME Homepage is at http://www.molinspiration.com/jme/, 06/06/2005
10.1021/ci010368v / J. Chem. Inf. Comput. Sci. by I.V. Tetko (2001)
10.1021/ci025515j / J. Chem. Inf. Comput. Sci. by I.V. Tetko (2002)
{'key': '8694_CR11', 'first-page': '18', 'volume': 'Design', 'author': 'A.J. Leo', 'year': '2000', 'journal-title': 'Persp. Drug Discov.'} / Persp. Drug Discov. by A.J. Leo (2000)
10.1002/jps.2600840120 / J. Pharm. Sci. by W.M. Meylan (1995)
Interactive Analysis Bedford MA, http://www.logp.com, 06/06/2005
Molinspiration Cheminformatics Bratislava Slovakia, http://www.molinspiration.com, 06/06/2005
10.1023/A:1008763405023 / Persp. Drug Discov. Design by R. Wang (2000)
XLOGP program is available by anonymous ftp to ftp2.ipc.pku.edu.cn, directory ‘pub/software/xlogp’
10.1021/ci9904261 / J. Chem. Inf. Comput. Sci. by J.J. Huuskonen (2000)
10.1021/ci000392t / J. Chem. Inf. Comput. Sci. by I.V. Tetko (2001)
PHYSPROP database is available from Syracuse, Inc. http://www.syrres.com, 06/06/2005
10.1002/jps.20217 / J. Pharm. Sci. by I.V. Tetko (2004)
10.1021/jm049509l / J. Med. Chem. by I.V. Tetko (2004)
Todeschini, R. and Consonni, V., Handbook of Molecular Descriptors. Wiley–VCH, Weinheim, 2000 (10.1002/9783527613106)
10.1021/ci00020a039 / J. Chem. Inf. Comput. Sci. by J. Sadowski (1994)
Tanchuk, V.Y., Tetko, I.V., Sasko, A. and Prokopenko, V.V., Parameter Client: Calculation of molecular descriptors in the Internet as a part of the Virtual Computational Chemistry Laboratory. QSAR2004, Istanbul, 2005
10.1021/ci000384c / J. Chem. Inf. Comput. Sci. by D.C. Whitley (2000)
10.1021/ci010379o / J. Chem. Inf. Comput. Sci. by I.V. Tetko (2002)
10.1023/A:1019903710291 / Neural Proc. Lett. by I.V. Tetko (2002)
{'key': '8694_CR28', 'first-page': '1331', 'volume': '43', 'author': 'T.I. Aksyonova', 'year': '2003', 'journal-title': 'SAMS'} / SAMS by T.I. Aksyonova (2003)
10.1080/10629360008033235 / SAR QSAR Environ. Res. by I.V. Tetko (2000)
Ajmani, S., Tetko, I.V., Livingstone, D.J. and Salt, D., A comparative study of neural network architectures for QSAR. QSAR2004, Istanbul, 2005
{'key': '8694_CR31', 'first-page': '188', 'volume-title': 'MFTA: Recent Extensions of Molecular Field Topology Analysis. EuroQSAR2002', 'author': 'V.A. Palyulin', 'year': '2003'} / MFTA: Recent Extensions of Molecular Field Topology Analysis. EuroQSAR2002 by V.A. Palyulin (2003)
10.1021/ci025584y / J. Chem. Inf. Comput. Sci. by C. Steinbeck (2003)
10.1023/A:1023884712617 / J. Comput. Aided. Mol. Des. by M. Pastor (2002)

Dates

Type	When
Created	19 years, 10 months ago (Oct. 17, 2005, 5:52 a.m.)
Deposited	5 years, 4 months ago (April 10, 2020, 5:47 a.m.)
Indexed	4 days, 1 hour ago (Aug. 19, 2025, 6:49 a.m.)
Issued	20 years, 2 months ago (June 1, 2005)
Published	20 years, 2 months ago (June 1, 2005)
Published Print	20 years, 2 months ago (June 1, 2005)

Funders 0

None

BibTeX

@article{Tetko_2005, title={Virtual Computational Chemistry Laboratory – Design and Description}, volume={19}, ISSN={1573-4951}, url={http://dx.doi.org/10.1007/s10822-005-8694-y}, DOI={10.1007/s10822-005-8694-y}, number={6}, journal={Journal of Computer-Aided Molecular Design}, publisher={Springer Science and Business Media LLC}, author={Tetko, Igor V. and Gasteiger, Johann and Todeschini, Roberto and Mauri, Andrea and Livingstone, David and Ertl, Peter and Palyulin, Vladimir A. and Radchenko, Eugene V. and Zefirov, Nikolay S. and Makarenko, Alexander S. and Tanchuk, Vsevolod Yu. and Prokopenko, Volodymyr V.}, year={2005}, month=jun, pages={453–463} }

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