Асосий контентга ўтиш
AkademIndex

Маҳсулотлар

Ишлаб чиқувчилар учун

AkademBaseЭкотизим учун очиқ API
← Ишга қайтиш

Ушбу иш иқтибос қилган ишлар

43 та иш

Иш: QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors

  1. SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

    David Weininger

    Мақола198819 иқтибос
    ABI

  2. QSAR modeling of acute toxicity by balance of correlations

    Andrey A. Toropov, Bakhtiyor Rasulev, Jerzy Leszczyński

    Мақола20089 иқтибос
    ABI

  3. Modeling of acyclic carbonyl compounds normal boiling points by correlation weighting of nearest neighboring codes

    Andrey A. Toropov, Alla P. Toropova

    Мақола20029 иқтибос
    ABI

  4. SMILES. 3. DEPICT. Graphical depiction of chemical structures

    David Weininger

    Мақола19908 иқтибос
    ABI

  5. Prediction of heteroaromatic amine mutagenicity by means of correlation weighting of atomic orbital graphs of local invariants

    Andrey A. Toropov, Alla P. Toropova

    Мақола20018 иқтибос
    ABI

  6. LINGO, an Efficient Holographic Text Based Method To Calculate Biophysical Properties and Intermolecular Similarities

    David Vidal, Michael Thormann, Miquel Pons

    Мақола20057 иқтибос
    ABI

  7. SMILES. 2. Algorithm for generation of unique SMILES notation

    David Weininger, Arthur Weininger, J. L. Weininger

    Мақола19897 иқтибос
    ABI

  8. QSPR-based estimation of the atmospheric persistence for chloronaphthalene congeners

    Tomasz Puzyn, Aleksandra Mostrąg, Noriyuki Suzuki +1

    Мақола20086 иқтибос
    ABI

  9. QSAR modeling of toxicity on optimization of correlation weights of Morgan extended connectivity

    Andrey A. Toropov, Alla P. Toropova

    Мақола20026 иқтибос
    ABI

  10. New QSPR study for the prediction of aqueous solubility of drug-like compounds

    Pablo R. Duchowicz, Alan Talevi, Luis E. Bruno‐Blanch +1

    Мақола20085 иқтибос
    ABI

  11. Prediction of intrinsic viscosity in polymer–solvent combinations using a QSPR model

    Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3

    Мақола20065 иқтибос
    ABI

  12. A Novel QSAR Model for Evaluating and Predicting the Inhibition Activity of Dipeptidyl Aspartyl Fluoromethylketones

    Antreas Afantitis, Georgia Melagraki, Haralambos Sarimveis +3

    Мақола20065 иқтибос
    ABI

  13. Partial Order Ranking for the aqueous toxicity of aromatic mixtures

    Pablo R. Duchowicz, Martín G. Vitale, Eduardo A. Castro

    Мақола20074 иқтибос
    ABI

  14. 3D-chiral (2.5) atom-based TOMOCOMD-CARDD descriptors: theory and QSAR applications to central chirality codification

    Yovani Marrero‐Ponce, Juan A. Castillo‐Garit, Eduardo A. Castro +2

    Мақола20084 иқтибос
    ABI

  15. Simplified molecular input line entry system (SMILES) as an alternative for constructing quantitative structure-property relationships (QSPR)

    Andrey A. Toropov, Alla P. Toropova, Dilya V. Mukhamedzhanova +1

    МақолаComputational Drug Discovery MethodsINDIAN JOURNAL OF CHEMISTRY- SECTION A20053 иқтибос
    ABI

  16. SMILES in QSPR/QSAR Modeling: Results and Perspectives

    Andrey A. Toropov, Emilio Benfenati

    МақолаComputational Drug Discovery MethodsCurrent Drug Discovery Technologies20073 иқтибос
    ABI

  17. QSAR modeling for lipid peroxidation inhibition potential of flavonoids using topological and structural parameters

    Supratim Ray, Chandana Sengupta, Kunal Roy

    Мақола20083 иқтибос
    ABI

  18. QSTR with Extended Topochemical Atom Indices. 10. Modeling of Toxicity of Organic Chemicals to Humans Using Different Chemometric Tools

    Kunal Roy, Gopinath Ghosh

    Мақола20083 иқтибос
    ABI

  19. Quantitative structure-activity relationship studies: β-adrenergic blocking activity of 1-(2,4-disubstituted phenoxy)-3-aminopropan-2-ols

    VK Gombar, VK Kapoor

    Мақола19903 иқтибос
    ABI

  20. Quantitative structure–pharmacokinetic relationship modelling

    Marie-Odile Fouchécourt, Martin Béliveau, Kannan Krishnan

    Мақола20013 иқтибос
    ABI

  21. The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study

    V. Е. Kuz’min, Eugene Muratov, A. G. Artemenko +3

    Мақола20083 иқтибос
    ABI

  22. Optimisation of correlation weights of SMILES invariants for modelling oral quail toxicity

    Andrey A. Toropov, Emilio Benfenati

    Мақола20063 иқтибос
    ABI

  23. QSAR modelling of aldehyde toxicity against a protozoan, Tetrahymena pyriformis by optimization of correlation weights of nearest neighboring codes

    Andrey A. Toropov, Emilio Benfenati

    Мақола20043 иқтибос
    ABI

  24. A Novel Search Engine for Virtual Screening of Very Large Databases

    David Vidal, Michael Thormann, Miquel Pons

    Мақола20063 иқтибос
    ABI

  25. QSAR modelling of aldehyde toxicity by means of optimisation of correlation weights of nearest neighbouring codes

    Andrey A. Toropov, Emilio Benfenati

    Мақола20043 иқтибос
    ABI