On the use of electronic descriptors for QSAR modelling of PCDDs, PCDFs and dioxin-like PCBs<sup>£</sup>

SAR and QSAR in Environmental Research - Tập 24 Số 6 - Trang 461-479 - 2013
Malin Larsson1, B. K. Mishra2, Mats Tysklind1, Anna Linusson2, Patrik L. Andersson1
1Department of Chemistry, Umeå University, SE-901 87, Umeå, Sweden
2Computational Life Science Cluster (CLiC), Department of Chemistry, Umeå University, SE‐901 87 Umeå, Sweden

Tóm tắt

Từ khóa


Tài liệu tham khảo

10.1146/annurev.pa.26.040186.002103

10.1093/toxsci/kfl055

10.1289/ehp.98106775

10.1186/1752-153X-5-58

10.1186/1752-153X-1-32

10.1289/ehp.5760

10.1289/ehp.5759

10.1016/S0166-1280(02)00614-0

10.1007/s00128-010-0065-2

10.1016/j.chemosphere.2006.10.057

10.1016/j.chemosphere.2006.01.010

10.1080/10629360600884397

10.1002/qsar.200530131

10.1007/s00216-005-0085-7

10.1248/cpb.49.680

10.1081/CNV-100104289

10.1002/etc.5620190530

10.1006/faat.1994.1031

10.1016/0006-2952(83)90153-3

10.1080/10629360108035372

10.1146/annurev.pa.35.040195.001515

Landers J.P., 1991, Biochem. J., 276, 273, 10.1042/bj2760273

10.1021/tx049874f

10.1021/tx0300380

Romkes M., 1987, Cancer Res., 47, 5108

10.1021/es00169a004

10.1016/S0045-6535(98)00034-4

10.1016/j.bmc.2005.09.017

10.1002/qsar.200430866

10.1021/ci990307l

10.1080/10629369708039131

10.1002/jps.21494

10.1007/s002160050310

10.1016/0045-6535(93)90089-N

10.1002/etc.5620220306

10.1021/ci000312l

10.1002/etc.5620131020

10.1248/cpb.39.2100

10.1016/j.chemosphere.2009.08.037

10.1016/j.chemosphere.2007.03.052

10.1021/jp037620h

10.1016/S0022-328X(00)88750-1

10.1016/j.chemosphere.2007.07.017

H.J. Lehmler, S. Parkin, and L.W. Robertson,2,3,4'-Trichlorobiphenyl, Acta Crystallogr. Sect. E Struct. Rep. Online 57 (2001), pp. o111–o112. Available at http://journals.iucr.org/e/issues/2001/02/00/ob6018/ob6018.pdf.

I. Kania-Korwel, S. Parkin, L.W. Robertson, and H.J. Lehmler,2,4,5-Trichlorobiphenyl, Acta Crystallogr. Sect. E Struct. Rep. Online 60 (2004), pp. O1652–O1653. Available at http://journals.iucr.org/e/issues/2004/09/00/bt6503/bt6503.pdf.

MO–G Version 1.1.Fujitsu Limited, Tokyo, Japan, 2008; software available at http://www.fqs.pl/chemistry_materials_life_science/products/scigress.

10.1063/1.1740412

R. Todeschini, and V. Consonni,Molecular descriptors for chemoinformatics, Weinheim, Germany: Wiley–VCH, vol. 41 (2009).

10.1002/jcc.540080616

Gaussian 09 Revision A.1.Gaussian, Inc., Wallingford CT, 2009; software available at http://www.gaussian.com.

MOE 2006.08.Chemical Computing Group, Quebec, Canada, 2008; software available at http://www.chemcomp.com.

10.1016/S0160-4120(03)00105-3

10.1002/0471725331

10.1016/S0169-7439(01)00155-1

SIMCA P+ 12.0.1.0.Umetrics AB, Umeå, Sweden (2009); software available at http://www.umetrics.com/simca.

10.1021/ja00996a012

10.1007/BF01686197

10.1366/0003702953963238

10.1080/10629360701428755

10.1016/S0160-4120(98)00023-3

10.1007/s001289900908

10.1201/9780203642627

10.1007/BF01684008

10.1021/j100121a015

10.1016/j.chemosphere.2004.09.051

10.1073/pnas.83.22.8440

10.1002/qua.560160113