In silico prediction of cytochrome P450 2D6 and 3A4 inhibition using Gaussian kernel weighted k-nearest neighbor and extended connectivity fingerprints, including structural fragment analysis of inhibitors versus noninhibitors

B.F. Jensen; C. Vind; S.B. Padkjær; Per B. Brockhoff; H.H. Refsgaard

doi:10.1021/jm060333s

In silico prediction of cytochrome P450 2D6 and 3A4 inhibition using Gaussian kernel weighted k-nearest neighbor and extended connectivity fingerprints, including structural fragment analysis of inhibitors versus noninhibitors

B.F. Jensen, C. Vind, S.B. Padkjær, Per B. Brockhoff, H.H. Refsgaard

Publikation: Artikel i tidsskrift og konference artikel i tidsskrift › Tidsskriftartikel › Forskning › peer review

Originalsprog	Engelsk
Tidsskrift	Journal of Medicinal Chemistry
Vol/bind	50
Udgave nummer	3
Sider (fra-til)	501-511
ISSN	0022-2623
DOI	https://doi.org/10.1021/jm060333s
Status	Udgivet - 2007
Udgivet eksternt	Ja

Adgang til dokumentet

10.1021/jm060333s

Citationsformater

Jensen, B. F., Vind, C., Padkjær, S. B., Brockhoff, P. B., & Refsgaard, H. H. (2007). In silico prediction of cytochrome P450 2D6 and 3A4 inhibition using Gaussian kernel weighted k-nearest neighbor and extended connectivity fingerprints, including structural fragment analysis of inhibitors versus noninhibitors. Journal of Medicinal Chemistry, 50(3), 501-511. https://doi.org/10.1021/jm060333s

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title = "In silico prediction of cytochrome P450 2D6 and 3A4 inhibition using Gaussian kernel weighted k-nearest neighbor and extended connectivity fingerprints, including structural fragment analysis of inhibitors versus noninhibitors",

author = "B.F. Jensen and C. Vind and S.B. Padkj{\ae}r and Brockhoff, {Per B.} and H.H. Refsgaard",

year = "2007",

doi = "10.1021/jm060333s",

language = "English",

volume = "50",

pages = "501--511",

journal = "Journal of Medicinal Chemistry",

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Jensen, BF, Vind, C, Padkjær, SB, Brockhoff, PB & Refsgaard, HH 2007, 'In silico prediction of cytochrome P450 2D6 and 3A4 inhibition using Gaussian kernel weighted k-nearest neighbor and extended connectivity fingerprints, including structural fragment analysis of inhibitors versus noninhibitors', Journal of Medicinal Chemistry, bind 50, nr. 3, s. 501-511. https://doi.org/10.1021/jm060333s

In silico prediction of cytochrome P450 2D6 and 3A4 inhibition using Gaussian kernel weighted k-nearest neighbor and extended connectivity fingerprints, including structural fragment analysis of inhibitors versus noninhibitors. / Jensen, B.F.; Vind, C.; Padkjær, S.B. et al.
I: Journal of Medicinal Chemistry, Bind 50, Nr. 3, 2007, s. 501-511.

Publikation: Artikel i tidsskrift og konference artikel i tidsskrift › Tidsskriftartikel › Forskning › peer review

TY - JOUR

T1 - In silico prediction of cytochrome P450 2D6 and 3A4 inhibition using Gaussian kernel weighted k-nearest neighbor and extended connectivity fingerprints, including structural fragment analysis of inhibitors versus noninhibitors

AU - Jensen, B.F.

AU - Vind, C.

AU - Padkjær, S.B.

AU - Brockhoff, Per B.

AU - Refsgaard, H.H.

PY - 2007

Y1 - 2007

U2 - 10.1021/jm060333s

DO - 10.1021/jm060333s

M3 - Journal article

C2 - 17266202

SN - 0022-2623

VL - 50

SP - 501

EP - 511

JO - Journal of Medicinal Chemistry

JF - Journal of Medicinal Chemistry

IS - 3

ER -