Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors

Daniela Schuster; Lisa Kern; Dimitar P. Hristozov; Lothar Terfloth; Bruno Bienfait; Christian Laggner; Johannes Kirchmair; Ulrike Grienke; Gerhard Wolber; Thierry Langer; Hermann Stuppner; Johann Gasteiger; Judith M. Rollinger

doi:10.2174/138620710790218212

Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors

Daniela Schuster, Lisa Kern, Dimitar P. Hristozov, Lothar Terfloth, Bruno Bienfait, Christian Laggner, Johannes Kirchmair, Ulrike Grienke, Gerhard Wolber, Thierry Langer, Hermann Stuppner, Johann Gasteiger, Judith M. Rollinger

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Pages (from-to)	54-66
Number of pages	13
Journal	Combinatorial Chemistry & High Throughput Screening
Volume	13
Issue number	1
DOIs	https://doi.org/10.2174/138620710790218212
Publication status	Published - Jan 2010
Externally published	Yes

Funding

This study was granted by a young talents grant of the Leopold-Franzens-University Innsbruck (J.M.R.) and by the Austrian Science Fund (FWF, project No. P18379). We also thank Philipp Schuster for assistance with preparing the manuscript.

Austrian Fields of Science 2012

301207 Pharmaceutical chemistry

Keywords

Natural products
drug discovery
acetylcholinesterase
virtual screening
counterpropagation network
spinne
novelty detection
ACTIVE-SITE GORGE
TORPEDO-CALIFORNICA ACETYLCHOLINESTERASE
IN-SILICO PHARMACOLOGY
NOVELTY DETECTION
NEURAL-NETWORKS
DRUG DISCOVERY
COUNTERPROPAGATION NETWORKS
INFRARED-SPECTRA
PROTEIN
BINDING

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Schuster, D., Kern, L., Hristozov, D. P., Terfloth, L., Bienfait, B., Laggner, C., Kirchmair, J., Grienke, U., Wolber, G., Langer, T., Stuppner, H., Gasteiger, J., & Rollinger, J. M. (2010). Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors. Combinatorial Chemistry & High Throughput Screening, 13(1), 54-66. https://doi.org/10.2174/138620710790218212

@article{793869ffb3a24b53a1a56a7df0c5bb16,

title = "Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors",

keywords = "Natural products, drug discovery, acetylcholinesterase, virtual screening, counterpropagation network, spinne, novelty detection, ACTIVE-SITE GORGE, TORPEDO-CALIFORNICA ACETYLCHOLINESTERASE, IN-SILICO PHARMACOLOGY, NOVELTY DETECTION, NEURAL-NETWORKS, DRUG DISCOVERY, COUNTERPROPAGATION NETWORKS, INFRARED-SPECTRA, PROTEIN, BINDING",

author = "Daniela Schuster and Lisa Kern and Hristozov, \{Dimitar P.\} and Lothar Terfloth and Bruno Bienfait and Christian Laggner and Johannes Kirchmair and Ulrike Grienke and Gerhard Wolber and Thierry Langer and Hermann Stuppner and Johann Gasteiger and Rollinger, \{Judith M.\}",

year = "2010",

month = jan,

doi = "10.2174/138620710790218212",

language = "English",

volume = "13",

pages = "54--66",

journal = "Combinatorial Chemistry \& High Throughput Screening",

issn = "1386-2073",

number = "1",

}

Schuster, D, Kern, L, Hristozov, DP, Terfloth, L, Bienfait, B, Laggner, C, Kirchmair, J , Grienke, U, Wolber, G, Langer, T, Stuppner, H, Gasteiger, J & Rollinger, JM 2010, 'Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors', Combinatorial Chemistry & High Throughput Screening, vol. 13, no. 1, pp. 54-66. https://doi.org/10.2174/138620710790218212

TY - JOUR

T1 - Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors

AU - Schuster, Daniela

AU - Kern, Lisa

AU - Hristozov, Dimitar P.

AU - Terfloth, Lothar

AU - Bienfait, Bruno

AU - Laggner, Christian

AU - Kirchmair, Johannes

AU - Grienke, Ulrike

AU - Wolber, Gerhard

AU - Langer, Thierry

AU - Stuppner, Hermann

AU - Gasteiger, Johann

AU - Rollinger, Judith M.

PY - 2010/1

Y1 - 2010/1

KW - Natural products

KW - drug discovery

KW - acetylcholinesterase

KW - virtual screening

KW - counterpropagation network

KW - spinne

KW - novelty detection

KW - ACTIVE-SITE GORGE

KW - TORPEDO-CALIFORNICA ACETYLCHOLINESTERASE

KW - IN-SILICO PHARMACOLOGY

KW - NOVELTY DETECTION

KW - NEURAL-NETWORKS

KW - DRUG DISCOVERY

KW - COUNTERPROPAGATION NETWORKS

KW - INFRARED-SPECTRA

KW - PROTEIN

KW - BINDING

U2 - 10.2174/138620710790218212

DO - 10.2174/138620710790218212

M3 - Article

SN - 1386-2073

VL - 13

SP - 54

EP - 66

JO - Combinatorial Chemistry & High Throughput Screening

JF - Combinatorial Chemistry & High Throughput Screening

IS - 1

ER -

Applications of Integrated Data Mining Methods to Exploring Natural Product Space for Acetylcholinesterase Inhibitors

Funding

Austrian Fields of Science 2012

Keywords

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