Ushbu ish iqtibos qilgan ishlar

27 ta ish

Ish: QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants

1. Optimal characterization of structure for prediction of properties

   Subhash C. Basak, Gerald J. Niemi, Gilman D. Veith

   Maqola19909 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.362655

2. Resolution of ambiguities in structure-property studies by use of orthogonal descriptors

   Milan Randić

   Maqola19918 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.173163

3. Improved QSPR analysis of standard entropy of acyclic and aromatic compounds using optimized correlation weights of linear graph invariants

   Pablo R. Duchowicz, Eduardo A. Castro, Andrey A. Toropov

   Maqola20028 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.374911

4. QSPR modeling of the enthalpy of formation from elements by means of correlation weighting of local invariants of atomic orbital molecular graphs

   Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov

   Maqola20008 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.374916

5. Improved molecular descriptors to calculate boiling points based on the optimization of correlation weights of local graph invariants

   Germán Krenkel

   Maqola20017 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.374907

6. Improved Molecular Descriptors Based on the Optimization of Correlation Weights of Local Graph Invariants

   Germán Krenkel, Eduardo A. Castro, Andrey A. Toropov

   Maqola20017 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.374918

7. Calculation of total molecular electronic energies from Correlation Weighting of Local Graph Invariants

   Andrés Mercader, Eduardo A. Castro, Andrey A. Toropov

   Maqola19996 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.374905

8. Structure–Toxicity Relationships for Aliphatic Compounds Based on Correlation Weighting of Local Graph Invariants

   Andrey A. Toropov, Pablo R. Duchowicz, Eduardo A. Castro

   Maqola20036 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.374925

9. Atomic physicochemical parameters for three-dimensional-structure-directed quantitative structure-activity relationships. 2. Modeling dispersive and hydrophobic interactions

   Arup K. Ghose, Gordon M. Crippen

   Maqola19875 iqtibos

   ABIABI:AkademIndex/openalex/2026.other.173221

10. Chemometric methods in molecular design

    H. Van De Waterbeemd

    Kitob19955 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.218354

11. Novel graph theoretical approach to heteroatoms in quantitative structure—activity relationships

    Milan Randić

    Maqola19915 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.374917

12. On computation of optimal parameters for multivariate analysis of structure‐property relationship

    Milan Randić

    Maqola19915 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.374924

13. Optimal Molecular Descriptors Based on Weighted Path Numbers

    Milan Randić, Subhash C. Basak

    Maqola19994 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.367367

14. Prediction of Hydrophobic (Lipophilic) Properties of Small Organic Molecules Using Fragmental Methods:  An Analysis of ALOGP and CLOGP Methods

    Arup K. Ghose, Vellarkad N. Viswanadhan, John J. Wendoloski

    Maqola19983 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.355315

15. Molecular Connectivity in Chemistry and Drug Research

    Kitob19763 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.374900

16. Linear free-energy relationship between partition coefficients and the aqueous solubility of organic liquids

    Corwin Hansch, John E. Quinlan, Gary L. Lawrence

    Maqola19682 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.374919

17. A computer automated structure evaluation (CASE) approach to calculation of partition coefficient

    Gilles Klopman, Shaomeng Wang

    Maqola19912 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.374930

18. Atom Description in QSAR Models: Development and Use of an Atom Level Index

    Lemont B. Kier, Lowell H. Hall

    Bob19922 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.374931

19. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.487028

20. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.487029

21. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.487030

22. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.487031

23. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.487032

24. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.487033

25. Sarlavhasiz

    Boshqa1 iqtibos

    ABIABI:AkademIndex/openalex/2026.other.487034