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J. Drews (1995)
Intent and coincidence in pharmaceutical discovery. The impact of biotechnology.Arzneimittel-Forschung, 45 8
A. Tropsha, A. Golbraikh (2007)
Predictive QSAR modeling workflow, model applicability domains, and virtual screening.Current pharmaceutical design, 13 34
D. Schnur (2008)
Recent trends in library design: 'rational design' revisited.Current opinion in drug discovery & development, 11 3
P. Ertl (2003)
Cheminformatics Analysis of Organic Substituents: Identification of the Most Common Substituents, Calculation of Substituent Properties, and Automatic Identification of Drug-like Bioisosteric GroupsJournal of chemical information and computer sciences, 43 2
Markus Kaiser, S. Wetzel, Kamal Kumar, Herbert Waldmann (2008)
Biology-inspired synthesis of compound librariesCellular and Molecular Life Sciences, 65
R. Dolle, B. Bourdonnec, Allan Goodman, Guillermo Morales, Craig Thomas, Wei Zhang (2008)
Comprehensive survey of chemical libraries for drug discovery and chemical biology: 2007.Journal of combinatorial chemistry, 10 6
S. Borman (2006)
CHEMICAL BIOLOGY OF THE CELL: Symposium probed CHEMISTRY of nucleus, cytoplasm, cell division, metals, metabolites, membranesChemical & Engineering News, 84
S. Unger, C. Hansch (1973)
Model building in structure-activity relations. Reexamination of adrenergic blocking activity of .beta.-halo-.beta.-arylalkylaminesJournal of Medicinal Chemistry, 16
S. Dixon, B. Stockwell (2009)
Identifying druggable disease-modifying gene products.Current opinion in chemical biology, 13 5-6
B. Metaferia, Lin Chen, Heather Baker, Xin-Yun Huang, C. Bewley (2007)
Synthetic macrolides that inhibit breast cancer cell migration in vitro.Journal of the American Chemical Society, 129 9
C. Lipinski, A. Hopkins (2004)
Navigating chemical space for biology and medicineNature, 432
Tala Bakheet, A. Doig (2009)
Properties and identification of human protein drug targetsBioinformatics, 25 4
R. Dolle, B. Bourdonnec, Allan Goodman, Guillermo Morales, J. Salvino, Wei Zhang (2007)
Comprehensive survey of chemical libraries for drug discovery and chemical biology: 2006.Journal of combinatorial chemistry, 9 6
G. Paolini, Richard Shapland, W. Hoorn, J. Mason, A. Hopkins (2006)
Global mapping of pharmacological spaceNature Biotechnology, 24
D. Erlanson (2006)
Fragment-based lead discovery: a chemical update.Current opinion in biotechnology, 17 6
A. Hopkins, C. Groom (2002)
The druggable genomeNature Reviews Drug Discovery, 1
S. Stevens, K. Prokai-Tatrai, L. Prokai (2005)
Screening of combinatorial libraries for substrate preference by mass spectrometry.Analytical chemistry, 77 2
Jonathan Chen, Erik Linstead, S. Swamidass, Dennis Wang, P. Baldi (2007)
Chemdb Update – Full-text Search and Virtual Chemical Space
X. Xie, Jian-zhong Chen (2008)
Data Mining a Small Molecule Drug Screening Representative Subset from NIH PubChemJournal of chemical information and modeling, 48 3
A. Leach, M. Hann, J. Burrows, E. Griffen (2006)
Fragment screening: an introduction.Molecular bioSystems, 2 9
Christoph Huwe (2006)
Synthetic library design.Drug discovery today, 11 15-16
V. Potemkin, M. Grishina (2008)
Principles for 3D/4D QSAR classification of drugs.Drug discovery today, 13 21-22
T. Moda, C. Montanari, A. Andricopulo (2007)
Hologram QSAR model for the prediction of human oral bioavailability.Bioorganic & medicinal chemistry, 15 24
D. Burke, D. Henderson (2002)
Chirality: a blueprint for the future.British journal of anaesthesia, 88 4
L. Marcaurelle, C. Johannes (2008)
Application of natural product-inspired diversity-oriented synthesis to drug discovery.Progress in drug research. Fortschritte der Arzneimittelforschung. Progres des recherches pharmaceutiques, 66
Tingjun Hou, Junmei Wang, Wei Zhang, Wei Wang, Xiaojie Xu (2006)
Recent advances in computational prediction of drug absorption and permeability in drug discovery.Current medicinal chemistry, 13 22
D. Fattori, A. Squarcia, S. Bartoli (2008)
Fragment-Based Approach to Drug Lead DiscoveryDrugs in R & D, 9
P. Hajduk, J. Huth, Chris Tse (2005)
Predicting protein druggability.Drug discovery today, 10 23-24
A. Schuffenhauer, P. Floersheim, P. Acklin, E. Jacoby (2003)
Similarity Metrics for Ligands Reflecting the Similarity of the Target ProteinsJournal of chemical information and computer sciences, 43 2
D. Plewczyński, L. Rychlewski (2009)
Meta-basic estimates the size of druggable human genomeJournal of Molecular Modeling, 15
J. Drews (2003)
Stategic trends in the drug industry.Drug discovery today, 8 9
S. Unger, C. Hansch (1973)
On model building in structure-activity relationships. A reexamination of adrenergic blocking activity of beta-halo-beta-arylalkylamines.Journal of medicinal chemistry, 16 7
Gabriel Musso, Zhaolei Zhang, A. Emili (2007)
Experimental and computational procedures for the assessment of protein complexes on a genome-wide scale.Chemical reviews, 107 8
P. Imming, C. Sinning, A. Meyer (2006)
Drugs, their targets and the nature and number of drug targetsNature Reviews Drug Discovery, 5
E. Esposito, A. Hopfinger, J. Madura (2004)
Methods for applying the quantitative structure-activity relationship paradigm.Methods in molecular biology, 275
S. Borman (2006)
Chemical biology of the cellChemical & Engineering News, 84
H. Matter, Karl-Heinz Barighaus, T. Naumann, T. Klabunde, B. Pirard (2001)
Computational approaches towards the rational design of drug-like compound libraries.Combinatorial chemistry & high throughput screening, 4 6
[In our introduction, we emphasized that a combination of reductionist (mechanism-based) and holistic (hypothesis-based) tools in the drug screening process may increase the efficiency of overall Drug Discovery. Among notable holistic tools are screens that target discovery and characterization of molecular probes (compounds) that will enable the investigation of fundamental biological function at molecular, cellular and whole organism levels. Such screening usually occurs at the earlier stages of drug discovery.]
Published: Jan 4, 2012
Keywords: Virtual Screening; QSAR Model; Combinatorial Chemistry; Lead Discovery; HQSAR Model
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