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5 works

Work: Chemical Graph Theory

  1. 3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes

    Andrey A. Toropov, Alla P. Toropova, Т. Т. Исмаилов +1

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  2. Comparison of QSPR Models Based on Hydrogen-Filled Graphs and on Graphs of Atomic Orbitals

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    ArticleComputational Drug Discovery MethodsUniversity of Zagreb University Computing Centre (SRCE)20052 citations
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  3. Computational analysis of Wollastonite graph structure via machine learning techniques

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  4. Bond-based 2D TOMOCOMD-CARDD approach for drug discovery: aiding decision-making in ‘in silico’ selection of new lead tyrosinase inhibitors

    Yovani Marrero‐Ponce, Mahmud Tareq Hassan Khan, Gerardo M. Casañola‐Martín +5

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  5. O Zagrebaèkim indeksima

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