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QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances)

Igor Svitanko 1, 2
Igor Svitanko
, 
Dmitry Aleksandrovich Devetyarov 3
Dmitry Aleksandrovich Devetyarov
,  , 
Maksim S Dolmat 2
Maksim S Dolmat
, 
Alexey Mikhailovich Zakharov 3
Alexey Mikhailovich Zakharov
, 
Svetlana S Grigor'eva 3
Svetlana S Grigor'eva
, 
Viktoriya Tarielevna Chichua 3
Viktoriya Tarielevna Chichua
, 
Lyudmila A Ponomareva 1
Lyudmila A Ponomareva
, 
Mikhail Kumskov 1
Mikhail Kumskov
10.1016/j.mencom.2007.03.012
Published 2007-03-15
Communication , Volume 17, Issue 2, 90-91
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Svitanko I. et al. QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances) // Mendeleev Communications. 2007. Vol. 17. No. 2. pp. 90-91.
GOST all authors (up to 50) Copy
Svitanko I., Devetyarov D. A., Chebukov D., Dolmat M. S., Zakharov A. M., Grigor'eva S. S., Chichua V. T., Ponomareva L. A., Kumskov M. QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances) // Mendeleev Communications. 2007. Vol. 17. No. 2. pp. 90-91.
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TY - JOUR
DO - 10.1016/j.mencom.2007.03.012
UR - https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.012
TI - QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances)
T2 - Mendeleev Communications
AU - Svitanko, Igor
AU - Devetyarov, Dmitry Aleksandrovich
AU - Chebukov, Dmitry
AU - Dolmat, Maksim S
AU - Zakharov, Alexey Mikhailovich
AU - Grigor'eva, Svetlana S
AU - Chichua, Viktoriya Tarielevna
AU - Ponomareva, Lyudmila A
AU - Kumskov, Mikhail
PY - 2007
DA - 2007/03/15
PB - Mendeleev Communications
SP - 90-91
IS - 2
VL - 17
ER -
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@article{2007_Svitanko,
author = {Igor Svitanko and Dmitry Aleksandrovich Devetyarov and Dmitry Chebukov and Maksim S Dolmat and Alexey Mikhailovich Zakharov and Svetlana S Grigor'eva and Viktoriya Tarielevna Chichua and Lyudmila A Ponomareva and Mikhail Kumskov},
title = {QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances)},
journal = {Mendeleev Communications},
year = {2007},
volume = {17},
publisher = {Mendeleev Communications},
month = {Mar},
url = {https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.012},
number = {2},
pages = {90--91},
doi = {10.1016/j.mencom.2007.03.012}
}
MLA
Cite this
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Svitanko, Igor, et al. “QSAR modeling on the basis of 3D descriptors representing the electrostatic molecular surface (ambergris fragrances).” Mendeleev Communications, vol. 17, no. 2, Mar. 2007, pp. 90-91. https://mendcomm.colab.ws/publications/10.1016/j.mencom.2007.03.012.

Abstract

A 3D-QSAR approach based on the electrostatic surface of molecules was used for the ambergris odour, and it showed a cross validation coefficient of 0.8.

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Mendeleev Communications, 1995
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Pattern Recognition and Image Analysis, 1996