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Analytical Chemistry, ISSN 0003-2700, 12/2009, Volume 81, Issue 24, pp. 10038 - 10048
At least two independent parameters are necessary for compound identification in metabolomics. We have compiled 2 212 electron impact mass spectra and... 
CATALYSIS | CHEMISTRY, ANALYTICAL | KOVATS | PROFILES | DATABASE | ORGANIC-COMPOUNDS | TOF-MS | COMPOUND IDENTIFICATION | SIMILARITY | SELECTIVITY | Software | Animals | Gas Chromatography-Mass Spectrometry | Time Factors | Metabolomics - methods | Databases, Factual | Gas chromatography | Usage | Research | Metabolites | Mass spectrometry
Journal Article
Tetrahedron Letters, ISSN 0040-4039, 08/2013, Volume 54, Issue 32, pp. 4303 - 4305
Intrinsic reactivity index (IRI) versus the carbene selectivity index (m ) for 14 disubstituted singlet carbenes. The reactivity of electrophilic, ambiphilic,... 
Singlet carbenes | Reactivity indices | Frontier molecular orbital energies | ELECTROPHILICITY | CHEMISTRY, ORGANIC | NUCLEOPHILICITY | SELECTIVITY
Journal Article
IEEE Transactions on Knowledge and Data Engineering, ISSN 1041-4347, 01/2019, Volume 31, Issue 1, pp. 91 - 104
Journal Article
Expert Opinion on Drug Discovery, ISSN 1746-0441, 10/2019, Volume 14, Issue 10, pp. 1053 - 1063
Introduction: Low-molecular-weight antibiotics are gradually rendered ineffective by multidrug-resistant bacteria. Promising replacements are fast-acting... 
Design | selectivity | prediction | antimicrobial peptides | BROAD-SPECTRUM | ESCHERICHIA-COLI | MEMBRANE INTERACTION | CATIONIC PEPTIDES | ANTIBACTERIAL ACTIVITY | PHARMACOLOGY & PHARMACY | CELL SELECTIVITY | CONFORMATIONAL-ANALYSIS | BIOLOGICAL-PROPERTIES | SKIN SECRETIONS | RATIONAL DESIGN
Journal Article
Industrial Crops & Products, ISSN 0926-6690, 12/2016, Volume 92, pp. 277 - 289
(A. Juss.) B. Gates (Malpighiaceae) is largely distributed in the cerrado Brazilian biome. In this study, phytochemical screening, antimicrobial and antifungal... 
Cytotoxicity | Flavonoids | Banisteriopsis leavifolia | Selectivity Index | Biological activity | ANTIOXIDANT ACTIVITY | DAD-ESI-MSN | AGRONOMY | PHENOLIC-COMPOUNDS | ANTIFUNGAL ACTIVITY | ESSENTIAL OIL | IDENTIFICATION | MASS-SPECTROMETRY | AGRICULTURAL ENGINEERING | CHEMICAL-CONSTITUENTS | EXTRACTS | MEDICINAL-PLANTS
Journal Article
1993, ICES CM (International Council for the Exploration of the Sea. Statistics Committee), Volume 1993/D:51., 6
Index-removal estimation is one of the basic approaches to estimating the size of animal populations. The logic is quite simple: if catch rate (catch per unit... 
approximation | mathematical models | gear selectivity | coefficients | catchability | population number
Book
Chemical Communications, ISSN 1359-7345, 2017, Volume 53, Issue 57, pp. 8085 - 8088
We investigated CO2 electroreduction on Cu overlayers on tetra-hexahedral Pd nanocrystals with {310} high-index facets, which exhibited a high Faradaic... 
NANOPARTICLES | PALLADIUM | SINGLE-CRYSTAL ELECTRODES | HYDROCARBONS | CARBON-DIOXIDE REDUCTION | ELECTROCHEMICAL REDUCTION | HIGH-SELECTIVITY | CHEMISTRY, MULTIDISCIPLINARY | COPPER ELECTRODE | UNDERPOTENTIAL DEPOSITION | SURFACES
Journal Article
Chemical Communications, ISSN 1359-7345, 2017, Volume 53, Issue 57, pp. 8085 - 8088
Journal Article
BIOORGANIC & MEDICINAL CHEMISTRY, ISSN 0968-0896, 11/2004, Volume 12, Issue 21, pp. 5533 - 5543
The purpose of this study is to probe the suitability of DFT based chemical reactivity parameter, electrophilicity index as a possible biological activity... 
estrogen | CHEMISTRY, MEDICINAL | testosterone | BIOCHEMISTRY & MOLECULAR BIOLOGY | CHEMISTRY, ORGANIC | biological activity descriptor | DFT | QSAR | ELECTRONEGATIVITY | CHEMICAL-REACTIVITY | DIOXINS | DENSITY-FUNCTIONAL THEORY | SELECTIVITY | QUANTITATIVE STRUCTURE | RECEPTOR-BINDING | electrophilicity | POLYCHLORINATED-BIPHENYLS
Journal Article