alfons's computational [6 articles] Export

Recent papers added to alfons's library classified by the tag computational. You can also see everyone's computational.

	Large compound databases for structure-activity relationships studies in drug discovery [My Copy] MINI-REVIEWS IN MEDICINAL CHEMISTRY, Vol. 7, No. {8}. (AUG 2007), pp. 851-860. by Thomas Scior, Philippe Bemard, Jose, Gerald posted to bibtex chemical computational data docking focused gpdbnet hopping libraries library ligand-target mining privileged scaffold screening structures by alfons on 2009-04-27 14:53:13 as
	Clustering and rule-based classifications of chemical structures evaluated in the biological activity space. [My Copy] J Chem Inf Model, Vol. 47, No. 2. (2007), pp. 325-336. by Ansgar Schuffenhauer, Nathan Brown, Peter Ertl, Jeremy L. Jenkins, Paul Selzer, Jacques Hamon posted to analysis bibtex biology chemical cluster computational databases genetic models molecular pharmaceutical preparations relationship structure structure-activity by alfons on 2009-04-27 14:53:13 as
	Chemical fragment spaces for de novo design. [My Copy] J Chem Inf Model, Vol. 47, No. 2. (2007), pp. 318-324. by Harald Mauser, Martin Stahl posted to bibtex biology computational design drug molecular structure by alfons on 2009-04-27 14:53:12 as
	Recore: a fast and versatile method for scaffold hopping based on small molecule crystal structure conformations. [My Copy] J Chem Inf Model, Vol. 47, No. 2. (2007), pp. 390-399. by Patrick Maass, Tanja S. Gasch, Martin Stahl, Matthias Rarey posted to bibtex biology chemical computational conformation crystallography databases factors factual hiv models molecular protease reverse thyrotropin time transcription x-ray by alfons on 2009-04-27 14:53:12 as
	Chem-bioinformatics: comparative QSAR at the interface between chemistry and biology. [My Copy] Chem Rev, Vol. 102, No. 3. (Mar 2002), pp. 783-812. by Corwin Hansch, David Hoekman, A. Leo, David Weininger, Cynthia D. Selassie posted to animals bibtex biology chemistry computational quantitative relationship structure-activity by alfons on 2009-04-27 14:53:12 as
	Virtual exploration of the chemical universe up to 11 atoms of C, N, O, F: assembly of 26.4 million structures (110.9 million stereoisomers) and analysis for new ring systems, stereochemistry, physicochemical properties, compound classes, and drug discovery. [My Copy] J Chem Inf Model, Vol. 47, No. 2. (2007), pp. 342-353. by Tobias Fink, Jean L. Reymond posted to bibtex biology chemistry computational cyclization databases design drug evaluation factual models molecular pharmaceutical physical preclinical preparations stereoisomerism structure by alfons on 2009-04-27 14:53:11 as

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bibtex	42
molecular	19
drug	15
structure	14
design	13
models	12
chemistry	9
databases	9
structure-activity	8
conformation	8
relationship	8
pharmaceutical	7
factual	7
software	7
computational	6
chemical	6
ligands	6
combinatorial	5
techniques	5
preparations	5
biology	5
analysis	4
binding	4
libraries	4
systems	4
animals	4
protein	4
humans	4
quantitative	3
algorithms	3
information	3
computer	3
evaluation	3
data	3
simulation	2
graphics	2
amino	2
sites	2
acid	2
computers	2
topic	2
preclinical	2
technology	2
entropy	2
stereoisomerism	2
sequence	2
receptors	2
space	2
as	2
chemoinformatics	2
small	2
molecule	2
dopamine	2
cyclization	2
physical	2
docking	1
structures	1
benzene	1
regression	1
polychlorinated	1
crystallography	1
protease	1
insulin	1
inhibitory	1
theorem	1
resonance	1
bayes	1
solubility	1
antagonists	1
hiv	1
mutation	1
tropical	1
genetic	1
roc	1
discriminant	1
magnetic	1
management	1
replacement	1
spectrometry	1
focused	1
time	1
phosphotransferases	1
peptides	1
histamine	1
heteroaromatic	1
library	1
ligand-target	1
weight	1
isosteric	1
artificial	1
results	1
agonists	1
piperidines	1
gpdbnet	1
curve	1
x-ray	1
exploration	1
mass	1
peptoids	1
microcomputers	1
hopping	1
morphine	1
spiro	1
cancer	1
quantum	1
phenols	1
biphenyls	1
informatics	1
indoles	1
pressure	1
nuclear	1
qsar	1
review	1
neglected	1
smiles	1
somatostatin	1
screening	1
spectroscopy	1
theoretical	1
spaces	1
computer-aided	1
3d	1
liquid	1
array	1
and	1
inhibitors	1
reproducibility	1
compounds	1
g-protein-coupled	1
adsorption	1
novo	1
privileged	1
permeability	1
annotated	1
thyrotropin	1
factors	1
intelligence	1
chromatography	1
database	1
proteome	1
agents	1
transcription	1
thermodynamics	1
statistical	1
studies	1
h1	1
concentration	1
pharmacology	1
fragments	1
enzyme	1
mining	1
piperazines	1
of	1
reverse	1
astemizole	1
oligopeptides	1
fullerenes	1
50	1
high	1
pain	1
cluster	1
terminology	1
bioisosters	1
cytoplasmic	1
scaffold	1

alfons's computational [6 articles] Export

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