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Volume 22; Issue 1
Main
Molecular Informatics
Volume 22; Issue 1
Molecular Informatics
Volume 22; Issue 1
1
The role of QSARs and fate models in chemical hazard and risk assessment : Paper prepared for Quantitative Structure-Activity Relationships (QSAR) Proceedings of the QSAR 2002 Conference, Ottawa May 2002
Don Mackay
,
Jennifer Hubbarde
,
Eva Webster
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 106 KB
Your tags:
english, 2003
2
Modeling Discrimination between Antibacterial and Non-Antibacterial Activity based on 3D Molecular Descriptors
Aynur O. Aptula
,
Ralph Kühne
,
Ralf-Uwe Ebert
,
Mark T. D. Cronin
,
Tatiana I. Netzeva
,
Gerrit Schüürmann
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 844 KB
Your tags:
english, 2003
3
Comparative Study of Activities between Verbascoside and Rutin by Docking Method
Kun Gao
,
Bo Tao Fan
,
Nadia El Fassi
,
Krystyna Zakrzewska
,
Zhongjian Jia
,
Rongliang Zheng
,
Annick Panaye
,
T. Couesnon
,
Jean-Pierre Doucet
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 865 KB
Your tags:
english, 2003
4
Quantitative structure property relationship models for the prediction of liquid heat capacity
Xiaojun Yao
,
Botao Fan
,
J. P. Doucet
,
A. Panaye
,
Mancang Liu
,
Ruisheng Zhang
,
Xiaoyun Zhang
,
Zhide Hu
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 143 KB
Your tags:
english, 2003
5
QSARs for Prioritizing PBT Substances to Promote Pollution Prevention
Lars Carlsen
,
John D. Walker
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 148 KB
Your tags:
english, 2003
6
Bioconcentration potential predictions based on molecular attributes – an early warning approach for chemicals found in humans, birds, fish and wildlife
Sabcho D. Dimitrov
,
Nadezhda C. Dimitrova
,
John D. Walker
,
Gilman D. Veith
,
Ovanes G. Mekenyan
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 3.88 MB
Your tags:
english, 2003
7
Modeling mode of action of industrial chemicals: Application using chemicals on Canada's Domestic Substances List (DSL)
S. Dimitrov
,
Y. Koleva
,
M. Lewis
,
R. Breton
,
G. Veith
,
O. Mekenyan
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 883 KB
Your tags:
english, 2003
8
The Importance of Being Earnest: Validation is the Absolute Essential for Successful Application and Interpretation of QSPR Models
Alexander Tropsha
,
Paola Gramatica
,
Vijay K. Gombar
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 316 KB
Your tags:
english, 2003
9
QSAR Models of the in vitro Estrogen Activity of Bisphenol A Analogs
Kelly P. Coleman
,
William A. Toscano Jr.
,
Thomas E. Wiese
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 305 KB
Your tags:
english, 2003
10
QSARs for Endocrine Disruption Priority Setting Database 2: The Integrated 4-Phase Model
John D. Walker
,
Hong Fang
,
Roger Perkins
,
Weida Tong
Journal:
Molecular Informatics
Year:
2003
Language:
english
File:
PDF, 732 KB
Your tags:
english, 2003
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