Articles
Page 42 of 44
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Citation: Chemistry Central Journal 2009 3(Suppl 1):P65
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Data integration and knowledge transfer: application to the tissue: air partition coefficients
Citation: Chemistry Central Journal 2009 3(Suppl 1):P30 -
How do proteins associate? A lesson from SH3 domain
Citation: Chemistry Central Journal 2009 3(Suppl 1):O22 -
Dynamic pharmacophores of the 5-HT1B receptor
Citation: Chemistry Central Journal 2009 3(Suppl 1):O18 -
Virtual screening for PPAR-gamma ligands using the ISOAK molecular graph kernel and gaussian processes
Citation: Chemistry Central Journal 2009 3(Suppl 1):P15 -
Erratum to: Heavy metal ions in wines: meta-analysis of target hazard quotients reveal health risks
Correction to Naughton DP, Petroczi A: Heavy metal ions in wines: meta-analysis of target hazard quotients reveals health risks. Chem Central J 2008, 2:22.
Citation: Chemistry Central Journal 2009 3:6 -
Electron ionization mass spectral fragmentation study of sulfation derivatives of polychlorinated biphenyls
Polychlorinated biphenyls are persistent organic pollutants that can be metabolized via hydroxylated PCBs to PCB sulfate metabolites. The sensitive and selective analysis of PCB sulfate monoesters by gas chrom...
Citation: Chemistry Central Journal 2009 3:5 -
Automated extraction of chemical structure information from digital raster images
To search for chemical structures in research articles, diagrams or text representing molecules need to be translated to a standard chemical file format compatible with cheminformatic search engines. Neverthel...
Citation: Chemistry Central Journal 2009 3:4 -
Inner-sphere oxidation of ternary iminodiacetatochromium(III) complexes involving DL-valine and L-arginine as secondary ligands. Isokinetic relationship for the oxidation of ternary iminodiacetato-chromium(III) complexes by periodate
In this paper, the kinetics of oxidation of [CrIII(HIDA)(Val)(H2O)2]+ and [CrIII(HIDA)(Arg)(H2O)2]+ (HIDA = iminodiacetic acid, Val = DL-valine and Arg = L-arginine) were studied. The choice of ternary complexes ...
Citation: Chemistry Central Journal 2009 3:3 -
Assembling proteomics data as a prerequisite for the analysis of large scale experiments
Despite the complete determination of the genome sequence of a huge number of bacteria, their proteomes remain relatively poorly defined. Beside new methods to increase the number of identified proteins new da...
Citation: Chemistry Central Journal 2009 3:2 -
Synthesis of 4-Pyridone-3-sulfate and an improved synthesis of 3-Hydroxy-4-Pyridone
An improved synthesis of 3-hydroxy-4-pyridone via an Elbs oxidation of 4-pyridone and isolation of 4-pyridone-3-sulfate is described.
Citation: Chemistry Central Journal 2009 3:1 -
Characterization of deposits formed on diesel injectors in field test and from thermal oxidative degradation of n-hexadecane in a laboratory reactor
Solid deposits from commercially available high-pressure diesel injectors (HPDI) were analyzed to study the solid deposition from diesel fuel during engine operation. The structural and chemical properties of ...
Citation: Chemistry Central Journal 2008 2:25 -
Cinfony – combining Open Source cheminformatics toolkits behind a common interface
Open Source cheminformatics toolkits such as OpenBabel, the CDK and the RDKit share the same core functionality but support different sets of file formats and forcefields, and calculate different fingerprints ...
Citation: Chemistry Central Journal 2008 2:24 -
Oxidative stress and immunologic responses following a dietary exposure to PAHs in Mya arenaria
The aim of this research was to investigate oxidative stress and immune responses following a dietary polycyclic aromatic hydrocarbon (PAH) exposure in a marine bioindicator organism, the soft shell clam, Mya are...
Citation: Chemistry Central Journal 2008 2:23 -
Heavy metal ions in wines: meta-analysis of target hazard quotients reveal health risks
Metal ions such as iron and copper are among the key nutrients that must be provided by dietary sources. Numerous foodstuffs have been evaluated for their contributions to the recommended daily allowance both ...
Citation: Chemistry Central Journal 2008 2:22 -
Simultaneous feature selection and parameter optimisation using an artificial ant colony: case study of melting point prediction
We present a novel feature selection algorithm, Winnowing Artificial Ant Colony (WAAC), that performs simultaneous feature selection and model parameter optimisation for the development of predictive quantitat...
Citation: Chemistry Central Journal 2008 2:21 -
A user-friendly Matlab program and GUI for the pseudorotation analysis of saturated five-membered ring systems based on scalar coupling constants
The advent of combinatorial chemistry has revived the interest in five-membered heterocyclic rings as scaffolds in pharmaceutical research. They are also the target of modifications in nucleic acid chemistry. ...
Citation: Chemistry Central Journal 2008 2:20 -
Solvent effect on the spectral properties of Neutral Red
The study was aimed at investigating the effect of various solvents on the absorption spectra of Neutral Red, a dye belonging to the quinone-imine class of dyes. The solvents chosen for the study were water, e...
Citation: Chemistry Central Journal 2008 2:19 -
DOVIS 2.0: an efficient and easy to use parallel virtual screening tool based on AutoDock 4.0
Small-molecule docking is an important tool in studying receptor-ligand interactions and in identifying potential drug candidates. Previously, we developed a software tool (DOVIS) to perform large-scale virtua...
Citation: Chemistry Central Journal 2008 2:18 -
Hydrogen bond networks determine emergent mechanical and thermodynamic properties across a protein family
Gram-negative bacteria use periplasmic-binding proteins (bPBP) to transport nutrients through the periplasm. Despite immense diversity within the recognized substrates, all members of the family share a common...
Citation: Chemistry Central Journal 2008 2:17 -
The speciation of the proteome
In proteomics a paradox situation developed in the last years. At one side it is basic knowledge that proteins are post-translationally modified and occur in different isoforms. At the other side the protein e...
Citation: Chemistry Central Journal 2008 2:16 -
Thermodynamics of binding of divalent magnesium and manganese to uridine phosphates: implications for diabetes-related hypomagnesaemia and carbohydrate biocatalysis
Although the necessity of divalent magnesium and manganese for full activity of sugar nucleotidyltransferases and glycosyltransferases is well known, the role of these metal cations in binding the substrates (...
Citation: Chemistry Central Journal 2008 2:15 -
Graphite furnace atomic absorption spectrometry as a routine method for the quantification of beryllium in blood and serum
A routine method for the quantification of beryllium in biological fluids is essential for the development of a chelation therapy for Chronic Beryllium Disease (CBD). We describe a procedure for the direct det...
Citation: Chemistry Central Journal 2008 2:14 -
Determination of metal ion content of beverages and estimation of target hazard quotients: a comparative study
Considerable research has been directed towards the roles of metal ions in nutrition with metal ion toxicity attracting particular attention. The aim of this study is to measure the levels of metal ions found ...
Citation: Chemistry Central Journal 2008 2:13 -
Isolation, purification, and full NMR assignments of cyclopamine from Veratrum californicum
The Hedgehog signaling pathway is essential for embryogenesis and for tissue homeostasis in the adult. However, it may induce malignancies in a number of tissues when constitutively activated, and it may also ...
Citation: Chemistry Central Journal 2008 2:12 -
PubChemSR: A search and retrieval tool for PubChem
Recent years have seen an explosion in the amount of publicly available chemical and related biological information. A significant step has been the emergence of PubChem, which contains property information fo...
Citation: Chemistry Central Journal 2008 2:11 -
Study on the effects of nitrilotriproprionic acid and 4,5-dihydroxy-1,3-benzene disulphonate on the fractionation of beryllium in human serum using graphite furnace atomic absorption spectrometry
Occupational exposure to beryllium may cause Chronic Beryllium Disease (CBD), a lung disorder initiated by an electrostatic interaction with the MHC class II human leukocyte antigen (HLA). Molecular studies ha...
Citation: Chemistry Central Journal 2008 2:10 -
An assessment of the levels of phthalate esters and metals in the Muledane open dump, Thohoyandou, Limpopo Province, South Africa
This work reports the determination of the levels of phthalate esters (dimethyl phthalate (DMP), diethyl phthalate (DEP), dibutyl phthalate (DBP), diethyl hexyl phthalate (DEHP)) and metals (lead, cadmium, man...
Citation: Chemistry Central Journal 2008 2:9 -
Determining the chemical activity of hydrophobic organic compounds in soil using polymer coated vials
In soils contaminated by hydrophobic organic compounds, the concentrations are less indicative of potential exposure and distribution than are the associated chemical activities, fugacities and freely dissolve...
Citation: Chemistry Central Journal 2008 2:8 -
Spectrophotometric determination of etodolac in pure form and pharmaceutical formulations
Etodolac (ETD) is a non-steroidal anti-inflamatory antirheumatic drug. A survey of the literature reveals that there is no method available for the determination of ETD in pure form and pharmaceutical formulat...
Citation: Chemistry Central Journal 2008 2:7 -
Further adventures in shape space
Citation: Chemistry Central Journal 2008 2(Suppl 1):P41 -
Application of molecular modelling in heterogeneous catalysis research
Citation: Chemistry Central Journal 2008 2(Suppl 1):P37 -
Fast access to total energies
Citation: Chemistry Central Journal 2008 2(Suppl 1):P35 -
Simulation of tetraetherlipids on solid surfaces – an extension of the DPD-model
Citation: Chemistry Central Journal 2008 2(Suppl 1):P33 -
A theoretical investigation on the geometries of glucagon-like peptide-1 and its interactions with dipeptidyl peptidase DPP-IV
Citation: Chemistry Central Journal 2008 2(Suppl 1):P31 -
Foreign language examples in chemical nomenclature
Citation: Chemistry Central Journal 2008 2(Suppl 1):P29 -
Creating chemo- & bioinformatics workflows, further developments within the CDK-Taverna Project
Citation: Chemistry Central Journal 2008 2(Suppl 1):P27 -
Comparing Natural Product (NP) and non-NP datasets at an atomic scale
Citation: Chemistry Central Journal 2008 2(Suppl 1):P25 -
In silico prediction of aqueous solubility – classification models
Citation: Chemistry Central Journal 2008 2(Suppl 1):P23 -
Secbase - secondary structure elements and ligand binding
Citation: Chemistry Central Journal 2008 2(Suppl 1):P21 -
Prediction of kinase inhibitors cross-reaction on the basis of kinase ATP cavity similarities: a study using PKSIM protein similarity score
Citation: Chemistry Central Journal 2008 2(Suppl 1):P19 -
QSAR modelling of acute toxicity in the fathead minnow
Citation: Chemistry Central Journal 2008 2(Suppl 1):P17 -
DrugScoreFP: profiling protein-ligand interactions using fingerprint simplicity paired with knowledge-based potential fields
Citation: Chemistry Central Journal 2008 2(Suppl 1):S16 -
Coarse-grained molecular models for high-throughput and multi-scale functional investigations
Citation: Chemistry Central Journal 2008 2(Suppl 1):S14 -
Black Swans and white tablets
Citation: Chemistry Central Journal 2008 2(Suppl 1):S12 -
Using chemical structure in open-source chemical text mining
Citation: Chemistry Central Journal 2008 2(Suppl 1):S10 -
An overview of large chemical structure databases
Citation: Chemistry Central Journal 2008 2(Suppl 1):S9 -
Molecular field topology analysis and structure generation
Citation: Chemistry Central Journal 2008 2(Suppl 1):P8 -
A new approach for flexible protein-ligand docking based on Particle Swarm Optimisation
Citation: Chemistry Central Journal 2008 2(Suppl 1):P6 -
SOMA2 – open source framework for molecular modelling workflows
Citation: Chemistry Central Journal 2008 2(Suppl 1):P4
Annual Journal Metrics
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Citation Impact 2023
Journal Impact Factor: 4.3
5-year Journal Impact Factor: 4.4
Source Normalized Impact per Paper (SNIP): 1.195
SCImago Journal Rank (SJR): 0.654
Speed 2024
Submission to first editorial decision (median days): 9
Submission to acceptance (median days): 123
Usage 2024
Downloads: 1,331,728
Altmetric mentions: 90
Transparency and Openness
TOP Factor Score - 9