alfons's molecular [19 articles] Export

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

	CHORTLES: a method for representing oligomeric and template-based mixtures. [My Copy] J Chem Inf Comput Sci, Vol. 35, No. 6. (1995), pp. 1026-1033. by M. A. Siani, D. Weininger, C. A. James, J. M. Blaney posted to acid amino as bibtex computers data databases factual molecular oligopeptides sequence software structure terminology topic by alfons on 2009-04-27 14:53:13 as
	CHUCKLES: a method for representing and searching peptide and peptoid sequences on both monomer and atomic levels. [My Copy] J Chem Inf Comput Sci, Vol. 34, No. 3. (1994), pp. 588-593. by M. A. Siani, D. Weininger, J. M. Blaney posted to acid amino as bibtex data databases design evaluation factual insulin molecular peptides peptoids sequence software structure studies topic by alfons on 2009-04-27 14:53:13 as
	Stigmata: an algorithm to determine structural commonalities in diverse datasets. [My Copy] J Chem Inf Comput Sci, Vol. 36, No. 4. (1996), pp. 862-871. by N. E. Shemetulskis, D. Weininger, C. J. Blankley, J. J. Yang, C. Humblet posted to agonists algorithms bibtex databases dopamine factual indoles ligands molecular pharmaceutical phenols piperazines preparations structure by alfons on 2009-04-27 14:53:13 as
	Relationships between Molecular Complexity, Biological Activity, and Structural Diversity. [My Copy] J Chem Inf Model, Vol. 46, No. 2. (2006), pp. 525-535. by Ansgar Schuffenhauer, Nathan Brown, Paul Selzer, Peter Ertl, Edgar Jacoby posted to 50 bibtex concentration design drug inhibitory ligands models molecular quantitative relationship structure structure-activity theoretical 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
	Ligand-based approach to in silico pharmacology: nuclear receptor profiling. [My Copy] J Chem Inf Model, Vol. 46, No. 6. (2006), pp. 2725-2736. by Jordi Mestres, Lidia M. Couce, Elisabet G. Puigjané, Montserrat Cases, Scott Boyer posted to and animals bibtex binding chemical chemistry combinatorial conformation cytoplasmic design drug entropy humans ligands models molecular nuclear pharmaceutical protein receptors software statistical structure techniques technology by alfons on 2009-04-27 14:53:12 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
	Recent developments in de novo design and scaffold hopping. [My Copy] Curr Opin Drug Discov Devel, Vol. 11, No. 3. (May 2008), pp. 365-374. by Harald Mauser, Wolfgang Guba posted to animals bibtex computer computer-aided conformation design drug graphics humans libraries ligands models molecular molecule pharmaceutical protein relationship simulation small structure structure-activity technology by alfons on 2009-04-27 14:53:12 as
	Strategies in drug design based on 3D-structures of ligands. [My Copy] Prog Clin Biol Res, Vol. 291 (1989), pp. 177-181. by Y. C. Martin, E. B. Danaher, C. S. May, D. Weininger, J. H. Van Drie posted to bibtex conformation design drug information ligands models molecular relationship software structure-activity systems by alfons on 2009-04-27 14:53:12 as
	MENTHOR, a database system for the storage and retrieval of three-dimensional molecular structures and associated data searchable by substructural, biologic, physical, or geometric properties. [My Copy] J Comput Aided Mol Des, Vol. 2, No. 1. (Apr 1988), pp. 15-29. by Y. C. Martin, E. B. Danaher, C. S. May, D. Weininger posted to bibtex conformation design drug information models molecular software structure systems 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
	Algorithm for advanced canonical coding of planar chemical structures that considers stereochemical and symmetric information. [My Copy] J Chem Inf Model, Vol. 47, No. 5. (2007), pp. 1734-1746. by Shungo Koichi, Satoru Iwata, Takeaki Uno, Hiroyuki Koshino, Hiroko Satoh posted to algorithms artificial bibtex computer conformation fullerenes intelligence magnetic microcomputers models molecular relationship resonance simulation software spectroscopy stereoisomerism structure-activity by alfons on 2009-04-27 14:53:12 as
	Introducing the consensus modeling concept in genetic algorithms: application to interpretable discriminant analysis. [My Copy] J Chem Inf Model, Vol. 46, No. 5. (2006), pp. 2110-2124. by Milan Ganguly, Nathan Brown, Ansgar Schuffenhauer, Peter Ertl, Valerie J. Gillet, Paulette A. Greenidge posted to algorithms analysis bibtex discriminant models molecular 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
	Virtual exploration of the small-molecule chemical universe below 160 Daltons. [My Copy] Angew Chem Int Ed Engl, Vol. 44, No. 10. (Feb 2005), pp. 1504-1508. by Tobias Fink, Heinz Bruggesser, Jean L. Reymond posted to bibtex database management molecular systems weight by alfons on 2009-04-27 14:53:11 as
	ALADDIN: an integrated tool for computer-assisted molecular design and pharmacophore recognition from geometric, steric, and substructure searching of three-dimensional molecular structures. [My Copy] J Comput Aided Mol Des, Vol. 3, No. 3. (Sep 1989), pp. 225-251. by J. H. Van Drie, D. Weininger, Y. C. Martin posted to agents bibtex binding computer conformation design dopamine drug graphics information models molecular sites software structure systems by alfons on 2009-04-27 14:53:11 as
	Chemical space travel. [My Copy] ChemMedChem, Vol. 2, No. 5. (May 2007), pp. 636-640. by Ruud van Deursen, Jean L. Reymond posted to bibtex design drug molecular mutation structure by alfons on 2009-04-27 14:53:11 as
	Definition and detection of outliers in chemical space. [My Copy] J Chem Inf Model, Vol. 48, No. 8. (Aug 2008), pp. 1592-1601. by Mosè Casalegno, Guido Sello, Emilio Benfenati posted to bibtex chemical models molecular structure by alfons on 2009-04-27 14:53:11 as
	The properties of known drugs. 1. Molecular frameworks. [My Copy] J Med Chem, Vol. 39, No. 15. (Jul 1996), pp. 2887-2893. by G. W. Bemis, M. A. Murcko posted to benzene bibtex cyclization databases design drug factual molecular pharmaceutical preparations 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 molecular [19 articles] Export

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