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VIRTUAL SCREENING IN DRUG DISCOVERY

Pivot to the East: a temporary measure or a consistent reversal of Russia's foreign policy?Polishchuk A. A.
Pivot to the East: a temporary measure or a consistent reversal of Russia

Structure-reactivity relationships in terms of the condensed graphs of reactions of a chemical reaction as a condensed graph, has been tested on more than 1000 bimolecular nucleophilic

Erratum: Correction: Kutlushina, A., et al. Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures. Molecules, 2018, 23, 3094 (Molecules (Basel, Switzerland) (2018) 23 12 PII: E1052)Erratum: Correction: Kutlushina, A., et al. Ligand-Based Pharmacophore Modeling Using Novel 3D

Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair Analysis-Chemical Interpretation (SPCI) approach, which is an extension of a recently reported method for interpretation

INTERPRETATION OF QSAR MODELS: THE IMPORTANCE OF MOLECULAR CONTEXT IN MINING STRUCTURAL PATTERNS

Structure-reactivity relationships in terms of the condensed graphs of reactions of a chemical reaction as a condensed graph, has been tested on more than 1000 bimolecular nucleophilic

Silver Ions as a Tool for Understanding Different Aspects of Copper MetabolismIn humans, copper is an important micronutrient because it is a cofactor of ubiquitous and brain

Multiple Conformer Descriptors for QSAR Modeling stereoconfiguration and conformational flexibility of compounds. 3D QSAR uses a single conformer of each compound

Estimation of the size of drug-like chemical space based on GDB-17 data enumeration preselected fragments, we used results of constrained graphs enumeration by Reymond to establish a

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