Journal of chemical information and computer sciencesжурнал

Статьи, опубликованные в журнале

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  • 2004 Quantitative Structure-Property Relationship Modeling of beta-Cyclodextrin Complexation Free Energies
  • Katritzky A.R., Fara D.C., Yang H., Karelson M., Suzuki T., Solov'ev V.P., Varnek A.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 44, № 2, с. 529-541 DOI
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  • 2004 “In Silico” Design of New Uranyl Extractants Based on Phosphoryl-Containing Podands: QSPR Studies, Generation and Screening of Virtual Combinatorial Library, and Experimental Tests
  • Varnek A., Fourches D., Solov'ev V.P., Baulin V.E., Turanov A.N., Karandashev V.K., Fara D., Katritzky A.R.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 44, № 4, с. 1365-1382 DOI
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  • 2003 Advanced Exact Structure Searching in Large Databases of Chemical Compounds
  • Trepalin Sergey V., Skorenko Andrey V., Balakin Konstantin V., Nasonov Anatoly F., Lang Stanley A., Ivashchenko Andrey A., and Nikolay P.Savchuk
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 43, № 3, с. 852-860 DOI
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  • 2003 Anti-HIV Activity of HEPT, TIBO and Cyclic Urea Derivatives: Structure-Property Studies, Focused Combinatorial Library Generation and Hits Selection Using Substructural Molecular Fragments Method
  • Solov’ev V.P., Varnek A.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 43, № 5, с. 1703-1719 DOI
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  • 2003 Drug discovery using support vector machines. The case studies of drug-likeness, agrochemical-likeness, and enzyme inhibition predictions
  • Zernov V.V., Balakin K.V., Ivaschenko A.A., Savchuk N.P., Pletnev I.V.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 43, № 6, с. 2048-2056 DOI
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  • 2003 Visualization and substructure retrieval tools in the MOGADOC database (Molecular Gasphase Documentation)
  • Vogt J., Vogt N., Kramer R.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), № 43, с. 357-361
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  • 2002 Assessment of The Macrocyclic Effect for The Complexation of Crown-Ethers with Alkali Cations Using the Substructural Molecular Fragments Method
  • Varnek A.A., Wipff G., Solov’ev V.P., Solotnov A.F.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 42, № 4, с. 812-829 DOI
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  • 2001 ACD/I-Lab 4.5: An Internet service review
  • Masunov A.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 41, № 4, с. 1093-1095
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  • 2001 Allowed boundary sequences for fused polycyclic patches and related algorithmic problems
  • Deza M., Fowler P.W., Grishukhin V.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 41, № 2, с. 300-308 DOI
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  • 2000 Modelling of Ion Complexation and Extraction Using Substructural Molecular Fragments
  • Solov’ev V.P., Varnek A., Wipff G.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 40, № 3, с. 847-858 DOI
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  • 1998 Irredundant generation of isomeric molecular structures with some known fragments
  • Molchanova M.S., Zefirov N.S.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 38, № 1, с. 8-22 DOI
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  • 1996 Molecular Multiplets of Alkaline Atoms
  • Hefferlin R.A., Sepman A.V., Zhuvikin G.V.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 36, № 3, с. 399-401 DOI
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  • 1996 Periodic Systems of Molecular States from the Boson Group Dynamics of SO(3) × SU(2)s
  • Carlson C.M., Cavanaugh R.J., Hefferlin R.A., Zhuvikin G.V.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 36, № 3, с. 396-398 DOI
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  • 1993 RAPID CONVERSION OF MOLECULAR GRAPHS TO 3-DIMENSIONAL REPRESENTATION USING THE MOLGEO PROGRAM
  • GORDEEVA E.V., KATRITZKY A.R., SHCHERBUKHIN V.V., ZEFIROV N.S.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 33, № 1, с. 102-111 DOI
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  • 1992 FRAGMENTATIONS AND THE FEELING OF GOAL IN COMPUTER-ASSISTED SYNTHESIS
  • LUSHNIKOV D.E., ZEFIROV N.S.
  • в журнале Journal of chemical information and computer sciences, издательство American Chemical Society (United States), том 32, № 4, с. 317-322 DOI