Articles
Page 38 of 39
-
Citation: Chemistry Central Journal 2008 2(Suppl 1):P49
-
BIOS: Similarity-based design of natural product derived compound collections
Citation: Chemistry Central Journal 2008 2(Suppl 1):P48 -
Latest developments and applications of double-hybrid density functionals
Citation: Chemistry Central Journal 2008 2(Suppl 1):P47 -
THERESA - a new reaction database-driven tool for stepwise retrosynthetic analysis
Citation: Chemistry Central Journal 2008 2(Suppl 1):P46 -
A new method in docking for rotatable OH bonds of amino acids in active sites
Citation: Chemistry Central Journal 2008 2(Suppl 1):P45 -
Information theory based scoring function for predicting protein-ligand binding affinity
Citation: Chemistry Central Journal 2008 2(Suppl 1):P44 -
Free chemical structure search in MDL SDFiles using the open source Personal Chemistry Client (PCC)
Citation: Chemistry Central Journal 2008 2(Suppl 1):P43 -
Finding new potential acetylcholine esterase Inhibitors in SDFiles using CWM Lead Finder and PASS (Prediction of Activity Spectra for Substances)
Citation: Chemistry Central Journal 2008 2(Suppl 1):P42 -
Further adventures in shape space
Citation: Chemistry Central Journal 2008 2(Suppl 1):P41 -
Parsers for SMILES and SMARTS
Citation: Chemistry Central Journal 2008 2(Suppl 1):P40 -
On the generation of intrinsic electric dipole fields as the basis for the understanding of the morphogenesis of fluoroapatite-gelatine nano-composites
Citation: Chemistry Central Journal 2008 2(Suppl 1):P39 -
Light emitting nanofibers from functionalised para-quaterphenylenes: theory, synthesis and application
Citation: Chemistry Central Journal 2008 2(Suppl 1):P38 -
Application of molecular modelling in heterogeneous catalysis research
Citation: Chemistry Central Journal 2008 2(Suppl 1):P37 -
Adrenoceptors: ligand-activated molecular dynamics
Citation: Chemistry Central Journal 2008 2(Suppl 1):P36 -
Fast access to total energies
Citation: Chemistry Central Journal 2008 2(Suppl 1):P35 -
How transient pockets open on the surface of the MDM2 protein
Citation: Chemistry Central Journal 2008 2(Suppl 1):P34 -
Rapid discovery of new leads for difficult targets: application to CCK2 and 11beta-HSD1
Citation: Chemistry Central Journal 2008 2(Suppl 1):P32 -
Modeling of substrates sorption into acetylcholinesterase and butyrylcholinesterase active sites using molecular docking method
Citation: Chemistry Central Journal 2008 2(Suppl 1):P30 -
Automating QSAR expertise
Citation: Chemistry Central Journal 2008 2(Suppl 1):P28 -
A virtual file system for the PubChem chemical structure and bioassay database
Citation: Chemistry Central Journal 2008 2(Suppl 1):P26 -
A rule-based method for comprehensive risk assessment of the mutagenic potential of drugs
Citation: Chemistry Central Journal 2008 2(Suppl 1):P24 -
Workflow-based identification of bioisosteric replacements for molecular scaffolds
Citation: Chemistry Central Journal 2008 2(Suppl 1):P22 -
Parametrization of the molecular free energy surface density (MolFESD) for different solvents and brain-blood barrier partitioning
Citation: Chemistry Central Journal 2008 2(Suppl 1):P20 -
Computer-aided predictions of potential antineoplastic agents
Citation: Chemistry Central Journal 2008 2(Suppl 1):P18 -
Development of new in silico methods to identify ligands for orphan GPCR
Citation: Chemistry Central Journal 2008 2(Suppl 1):S17 -
The use of quantum chemistry in the prediction of ADME-Tox properties
Citation: Chemistry Central Journal 2008 2(Suppl 1):P16 -
COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
Citation: Chemistry Central Journal 2008 2(Suppl 1):P15 -
Protein structure-based drug design: applications, limitations and future developments
Citation: Chemistry Central Journal 2008 2(Suppl 1):S15 -
Comparison of applicability domains of QSAR models: application to the modelling of the environmental toxicity against Tetrahymena pyriformis
Citation: Chemistry Central Journal 2008 2(Suppl 1):P14 -
Calculation of lipophilicity for Pt(II) complexes: experimental comparison of several methods
Citation: Chemistry Central Journal 2008 2(Suppl 1):P13 -
Assignment of protonation states and geometries to macromolecular structures using Unary Quadratic Optimization
Citation: Chemistry Central Journal 2008 2(Suppl 1):S13 -
The influence of protonation in protein-ligand docking
Citation: Chemistry Central Journal 2008 2(Suppl 1):P12 -
Tautomerism in structure-based 3D pharmacophore modeling
Citation: Chemistry Central Journal 2008 2(Suppl 1):P11 -
Breaking the language barrier: chemical nomenclature around the globe
Citation: Chemistry Central Journal 2008 2(Suppl 1):S11 -
Molecular similarity for machine learning in drug development
Citation: Chemistry Central Journal 2008 2(Suppl 1):P10 -
On some aspects of validation of predictive QSAR models
Citation: Chemistry Central Journal 2008 2(Suppl 1):P9 -
MFD-simulation of surface coatings – an extension to solid/fluid molecular modelling models
Citation: Chemistry Central Journal 2008 2(Suppl 1):S8 -
Modeling of nanomaterials: recent applications and new tools development
Citation: Chemistry Central Journal 2008 2(Suppl 1):S7 -
Multi-objective de novo adrug design using evolutionary graphs
Citation: Chemistry Central Journal 2008 2(Suppl 1):P7 -
A computational protocol to fragment-based drug design at PDB scale
Citation: Chemistry Central Journal 2008 2(Suppl 1):S6 -
Is learning drugs the same as learning non-drugs?
Citation: Chemistry Central Journal 2008 2(Suppl 1):S5 -
Multi-body interactions in molecular docking: treatment of water molecules and multiple ligands
Citation: Chemistry Central Journal 2008 2(Suppl 1):P5 -
Side effect profile prediction - early addressing of big pharma's worst nightmare
Citation: Chemistry Central Journal 2008 2(Suppl 1):S4 -
Beyond descriptor vectors: QSAR modelling using structural similarity
Citation: Chemistry Central Journal 2008 2(Suppl 1):S3 -
Topological pharmacophores: pros & cons of QSARs based on 2D pharmacophore fingerprints
Citation: Chemistry Central Journal 2008 2(Suppl 1):P3 -
Estimating the applicability domain of kernel based QSPR models using classical descriptor vectors
Citation: Chemistry Central Journal 2008 2(Suppl 1):P2 -
Natural product-likeness score and its applications in the drug discovery process
Citation: Chemistry Central Journal 2008 2(Suppl 1):S2 -
Foundations of molecular similarity analysis
Citation: Chemistry Central Journal 2008 2(Suppl 1):S1 -
Exploring benchmark dataset bias in ligand based virtual screening
Citation: Chemistry Central Journal 2008 2(Suppl 1):P1 -
Freezing point osmometry of milk to determine the additional water content – an issue in general quality control and German food regulation
The determination of the osmolality of aqueous samples using a freezing point osmometer is a well-established, routine laboratory method. In addition to their use in clinical and pharmaceutical laboratories, f...
Citation: Chemistry Central Journal 2008 2:6
Annual Journal Metrics
-
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 2023
Submission to first editorial decision (median days): 16
Submission to acceptance (median days): 151
Usage 2023
Downloads: 1,119,604
Altmetric mentions: 98
Transparency and Openness
TOP Factor Score - 9