Predicting the thermal stability of nitroaromatic compounds using chemoinformatic tools (English)
- New search for: Fayet, Guillaume
- New search for: Del Rio, Alberto
- New search for: Rotureau, Patricia
- New search for: Joubert, Laurent
- New search for: Adamo, Carlo
- New search for: Fayet, Guillaume
- New search for: Del Rio, Alberto
- New search for: Rotureau, Patricia
- New search for: Joubert, Laurent
- New search for: Adamo, Carlo
In:
molecular informatics
;
30
, 6-7
;
623-634
;
2011
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ISSN:
- Article (Journal) / Print
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Title:Predicting the thermal stability of nitroaromatic compounds using chemoinformatic tools
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Contributors:Fayet, Guillaume ( author ) / Del Rio, Alberto ( author ) / Rotureau, Patricia ( author ) / Joubert, Laurent ( author ) / Adamo, Carlo ( author )
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Published in:molecular informatics ; 30, 6-7 ; 623-634
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Publisher:
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Publication date:2011
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Size:12 Seiten, 6 Bilder, 6 Tabellen, 43 Quellen
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
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Keywords:
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Source:
Table of contents – Volume 30, Issue 6-7
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 489
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Cover Picture: (Mol. Inf. 6-7/2011)| 2011
- 491
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Graphical Abstract: Mol. Inf. 6-7/2011| 2011
- 498
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Molecular Dynamics Simulations Using Graphics Processing UnitsBaker, J. A. / Hirst, J. D. et al. | 2011
- 506
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Text Mining for Drugs and Chemical Compounds: Methods, Tools and ApplicationsVazquez, M. / Krallinger, M. / Leitner, F. / Valencia, A. et al. | 2011
- 521
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Identification of Nonpeptide Oxytocin Receptor Ligands by Receptor-Ligand Fingerprint Similarity SearchWeill, N. / Valencia, C. / Gioria, S. / Villa, P. / Hibert, M. / Rognan, D. et al. | 2011
- 527
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A Comparative Study of Nonlinear Machine Learning for the -In Silico- Depiction of Tyrosinase Inhibitory Activity from Molecular StructureLe-Thi-Thu, H. / Marrero-Ponce-, Y. / Casaola-Martin-, G. M. / Cardoso, G. C. / Chvez, M. d. / Garcia, M. M. / Morell, C. / Torrens, F. / Abad, C. et al. | 2011
- 539
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Computational Insights into Ligand Selectivity of Estrogen Receptors from Pharmacophore ModelingFang-, J. / Shen-, J. / Cheng, F. / Xu, Z. / Liu, G. / Tang, Y. et al. | 2011
- 551
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A Risk Assessment Perspective of Current Practice in Characterizing Uncertainties in QSAR Regression PredictionsSahlin, U. / Filipsson, M. / berg, T. et al. | 2011
- 565
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Integration of Ligand- and Target-Based Virtual Screening for the Discovery of Cruzain InhibitorsWiggers, H. J. / Rocha, J. R. / Cheleski, J. / Montanari, C. A. et al. | 2011
- 579
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Structure-Based Pharmacophore Modeling from Multicomplex: a Comprehensive Pharmacophore Generation of Protein Kinase CK2 and Virtual Screening Based on it for Novel InhibitorsSun, H. P. / Zhu, J. / Chen, F. H. / You, Q. D. et al. | 2011
- 593
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Interpretation of QSAR Models Based on Random Forest MethodsKuz'min, V. E. / Polishchuk, P. G. / Artemenko, A. G. / Andronati, S. A. et al. | 2011
- 605
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MPO Inhibitors Selected by Virtual ScreeningMalvezzi-, A. / Queiroz-, R. F. / de-Rezende-, L. / Augusto, O. / Amaral, A. T. et al. | 2011
- 614
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A Comparative Study on the Constitutive Properties of Marketed PesticidesHao, G. / Dong, Q. / Yang, G. et al. | 2011
- 623
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Predicting the Thermal Stability of Nitroaromatic Compounds Using Chemoinformatic ToolsFayet-, G. / Del Rio, A. / Rotureau, P. / Joubert, L. / Adamo, C. et al. | 2011