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- Currently displaying 14441 - 14460 of 30936 publications
Diverse topologies in dynamic combinatorial libraries from tri- and mono-thiols in water: sensitivity to weak supramolecular interactions
Chemical communications (Cambridge, England)
(2013)
49
5820
(doi: 10.1039/c3cc41158c)
Using machine learning techniques for rationalising phenotypic readouts from a rat sleeping model
Journal of cheminformatics
(2013)
5
P34
(doi: 10.1186/1758-2946-5-s1-p34)
Relating GPCRs pharmacological space based on ligands chemical similarities
Journal of Cheminformatics
(2013)
5
P26
(doi: 10.1186/1758-2946-5-s1-p26)
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules
Journal of Cheminformatics
(2013)
5
o12
(doi: 10.1186/1758-2946-5-s1-o12)
International chemical identifier for chemical reactions
Journal of Cheminformatics
(2013)
5
o16
(doi: 10.1186/1758-2946-5-s1-o16)
Experimental validation of in silico target predictions on synergistic protein targets
Journal of Cheminformatics
(2013)
5
P31
(doi: 10.1186/1758-2946-5-s1-p31)
Annotating targets with pathways: extending approaches to mode of action analysis
Journal of cheminformatics
(2013)
5
P15
(doi: 10.1186/1758-2946-5-s1-p15)
Chemogenomics approaches to rationalising compound action of traditional Chinese and Ayurvedic medicines
Journal of Cheminformatics
(2013)
5
p44
(doi: 10.1186/1758-2946-5-s1-p44)
Structural insights into the formation and evolution of amorphous phase‐change materials
Physica Status Solidi B Basic Research
(2013)
250
968
(doi: 10.1002/pssb.201248563)
In silico target prediction: identification of on- and off-targets for crop protection agents
Journal of Cheminformatics
(2013)
5
p18
(doi: 10.1186/1758-2946-5-s1-p18)
Revised classification of kinases based on bioactivity data: the importance of data density and choice of visualization
Journal of Cheminformatics
(2013)
5
p24
(doi: 10.1186/1758-2946-5-s1-p24)
JOYCE and ULYSSES: integrated and user-friendly tools for the parameterization of intramolecular force fields from quantum mechanical data
Physical chemistry chemical physics : PCCP
(2013)
15
3736
(doi: 10.1039/c3cp44179b)
Lattice model of dynamic heterogeneity and kinetic arrest in glass-forming liquids
Soft Matter
(2013)
9
3173
(doi: 10.1039/c3sm25679k)
Phase behavior and mixed ionic–electronic conductivity of Ba4Sb2O9
Solid State Ionics
(2013)
235
1
(doi: 10.1016/j.ssi.2013.01.008)
Symmetrisation schemes for global optimisation of atomic clusters.
Physical chemistry chemical physics : PCCP
(2013)
15
3965
(doi: 10.1039/c3cp44332a)
Insights into chromatin fibre structure by in vitro and in silico single-molecule stretching experiments.
Biochemical Society Transactions
(2013)
41
494
(doi: 10.1042/BST20120349)
Synthesis of magnetic rattle-type nanostructures for use in water treatment
ACS Appl Mater Interfaces
(2013)
5
2540
(doi: 10.1021/am303117g)
Single-crystal adsorption calorimetry and density functional theory of CO chemisorption on fcc Co{110}
Physical Chemistry Chemical Physics
(2013)
15
4059
(doi: 10.1039/c3cp43836h)
A study of the impact of land-use change in Borneo on atmospheric composition using a global model
Atmospheric Chemistry and Physics Discussions
(2013)
13
7431
(doi: 10.5194/acpd-13-7431-2013)
Understanding the conduction mechanism of the protonic conductor CsH 2PO4 by solid-state NMR spectroscopy
Journal of Physical Chemistry C
(2013)
117
6504
(doi: 10.1021/jp312410t)