CiteULike: apostola's Willett:P [4 articles]

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	Representing Clusters Using a Maximum Common Edge Substructure Algorithm Applied to Reduced Graphs and Molecular Graphs. [My Copy] J Chem Inf Model (20 February 2007) by Eleanor J. Gardiner, Valerie J. Gillet, Peter Willett, David A. Cosgrove posted to clustering graph reduced similarity by apostola on 2008-01-03 13:27:48 as along with 2 people nachtalp sithmein
	Scaffold hopping using clique detection applied to reduced graphs. [My Copy] J Chem Inf Model, Vol. 46, No. 2. (r 2006), pp. 503-511. by E. J. Barker, D. Buttar, D. A. Cosgrove, et al.E. J. Gardiner, P. Kitts, P. Willett, V. J. Gillet posted to graph reduced similarity by apostola on 2008-01-03 13:27:18 as along with 2 people nachtalp daevans
	Similarity Searching Using Reduced Graphs [My Copy] J. Chem. Inf. Model., Vol. 43, No. 2. (24 March 2003), pp. 338-345. by V. J. Gillet, P. Willett, J. Bradshaw posted to graph reduced similarity by apostola on 2008-01-03 13:26:40 as along with 3 people nachtalp peprovy superpyrin
	A genetic algorithm for flexible molecular overlay and pharmacophore elucidation. [My Copy] J Comput Aided Mol Des, Vol. 9, No. 6. (December 1995), pp. 532-549. by G. Jones, P. Willett, R. C. Glen posted to algorithm genetic overlay by apostola on 2007-12-04 09:18:10 as along with 1 person nachtalp

docking	13
eigen	12
screening	9
inverse	9
similarity	9
pharmacophore	8
homdock	5
solvation	5
basics	4
approximation	4
implicit	4
nn	4
free	4
tsa	4
metabolomics	4
poisson	4
energy	4
graph	3
reaction	3
potentials	3
clustering	3
reduced	3
cyclodextrin	3
classification	3
pmf	3
crystallography	3
scaffold	3
qsar	2
proteomics	2
comfa	2
kinases	2
chemical	2
catalysis	2
guided	2
scoring	2
artificial	2
autodock	2
kie	2
mc	2
fingerprint	2
flexible	1
kohonen	1
fit	1
kinase	1
microrna	1
flavonoids	1
metrics	1
drosophila	1
threading	1
combine	1
receptor	1
protein	1
distance	1
comparison	1
enthalpy	1
decision	1
regression	1
effects	1
algorithm	1
repositioning	1
glamdock	1
textmining	1
carlo	1
bayes	1
function	1
overlay	1
induced	1
interaction	1
side	1
mutants	1
pb	1
genetic	1
filter	1
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proteome	1
applications	1
folding	1
mapping	1
entropy	1
cycle	1
hopping	1
field	1
boltzmann	1
tree	1
mcs	1
ar	1
receptors	1
hydrophobic	1
clinical	1
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its	1
e-dragon	1
move	1
dock4	1
enzyme	1
statistical	1
pharmacogenomics	1
gsk	1
inhibitors	1
monte	1
sp	1
prediction	1
combination	1
pmcd	1
chips	1
force	1
biotechnology	1
svm	1
screen	1
thermodynamic	1
transition	1
eudoc	1
state	1
fragment	1
topological	1
camptothecin	1
problems	1
peptides	1
hts	1
hydrophobicity	1

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