jerome's Schuffenhauer:A [7 articles] Export

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	Estimation of synthetic accessibility score of drug-like molecules based on molecular complexity and fragment contributions [My Copy] Journal of Cheminformatics, Vol. 1, No. 1. (2009), 8. by Peter Ertl, Ansgar Schuffenhauer posted to accessibility prediction schuffenhauer_ansgar statistics synthetic by jerome on 2009-07-21 11:33:14 as
	The Scaffold Tree - Visualization of the Scaffold Universe by Hierarchical Scaffold Classification [My Copy] J. Chem. Inf. Model., Vol. 47, No. 1. (22 January 2007), pp. 47-58. by A. Schuffenhauer, P. Ertl, S. Roggo, S. Wetzel, M. A. Koch, H. Waldmann posted to schuffenhauer_ansgar scaffold_hopping mcs by jerome on 2007-01-23 23:58:34 as along with 5 people sschurer mdimmic dgruiz JALumley sithmein
	New Methods for Ligand-Based Virtual Screening: Use of Data-Fusion and Machine-Learning Techniques to Enhance the Effectiveness of Similarity Searching [My Copy] Journal of Chemical Information and Modeling (2005) by J. Hert, P. Willett, D. J. Wilton, et al.P. Acklin, K. Azzaoui, E. Jacoby, A. Schuffenhauer posted to personal by jerome on 2006-01-03 22:59:50 as along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
	Enhancing the effectiveness of similarity-based virtual screening using nearest-neighbor information [My Copy] Journal of Medicinal Chemistry, Vol. 48, No. 22. (2005), pp. 7049-7054. by J. Hert, P. Willett, D. J. Wilton, et al.P. Acklin, K. Azzaoui, E. Jacoby, A. Schuffenhauer posted to personal by jerome on 2006-01-03 22:59:50 as along with 1 person JALumley
	Comparison of topological descriptors for similarity-based virtual screening using multiple bioactive reference structures [My Copy] Organic and Biomolecular Chemistry (2004), pp. 3256-3266. by J. Hert, P. Willett, D. J. Wilton, et al.P. Acklin, K. Azzaoui, E. Jacoby, A. Schuffenhauer posted to personal by jerome on 2006-01-03 22:59:50 as along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
	Comparison of fingerprint-based methods for virtual screening using multiple bioactive reference structures [My Copy] Journal of Chemical Information and Computer Sciences, Vol. 44, No. 3. (2004), pp. 1177-1185. by J. Hert, P. Willett, D. J. Wilton, et al.P. Acklin, K. Azzaoui, E. Jacoby, A. Schuffenhauer posted to personal by jerome on 2006-01-03 22:59:50 as along with 1 person and 2 groups sangeetha Bioinformatics insilicodrug
	Similarity searching in files of three-dimensional chemical structures: analysis of the BIOSTER database using two-dimensional fingerprints and molecular field descriptors [My Copy] J Chem Inf Comput Sci, Vol. 40, No. 2. (March 2000), pp. 295-307. by A. Schuffenhauer, V. J. Gillet, P. Willett posted to schuffenhauer_ansgar willett_peter by jerome on 2005-05-26 11:53:26 as along with 2 people and 2 groups JALumley sangeetha Bioinformatics insilicodrug

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similarity_general	12
scaffold_hopping	9
bayesian_learning	9
review	8
willett_peter	8
prediction	8
statistics	7
personal	7
modeling	6
chemical_space	6
polypharmacology	6
chemotypes_definition	5
ligand_based_virtual_screening	5
toxicology	5
multitargets	5
data_fusion	5
hts_analysis	4
substructural_analysis	4
raymond_john	4
ontology	4
protein_ligand_interaction	4
biology	4
structural_biology	3
scaffold	3
flurorine	3
schuffenhauer_ansgar	3
model	3
networks	3
descriptor	3
mcs	3
fingerprint	3
fragment	3
experimental	3
docking	3
quantitative	3
bender_andreas	3
history	2
reuse	2
target_fishing	2
geometry	2
gpcr	2
nbt	2
compound_selection	2
hts	2
roche	2
deconvolution	2
information_retrieval	2
sheridan_robert	1
activity	1
baldi	1
computational_chemistry	1
auto_definition_chemotypes	1
nrdd	1
chemistry	1
library_design	1
affinity	1
drug_discovery	1
structure_based_virtual_screening	1
pdb	1
flexibility	1
pharmacophores	1
admet	1
binding_site	1
nomenclature	1
accessibility	1
sar	1
synthetic	1
homology	1
kearsley_simon	1
svm	1
bayesian_alternates	1

jerome's Schuffenhauer:A [7 articles] Export

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