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Volume 25; Issue 4
Main
Molecular Informatics
Volume 25; Issue 4
Molecular Informatics
Volume 25; Issue 4
1
Kernel Functions for Attributed Molecular Graphs – A New Similarity-Based Approach to ADME Prediction in Classification and Regression
Holger Fröhlich
,
Jörg. K. Wegner
,
Florian Sieker
,
Andreas Zell
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 293 KB
Your tags:
english, 2006
2
A Strategy for the Identification of Canonical and Non-canonical MHC I-binding Epitopes Using an ANN-based Epitope Prediction Algorithm
Matthias Filter
,
Mathias Eichler-Mertens
,
Anne Bredenbeck
,
Florian O. Losch
,
Tumenjargal Sharav
,
Alireza Givehchi
,
Peter Walden
,
Paul Wrede
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 547 KB
Your tags:
english, 2006
3
WHIM Descriptors of Shape
Paola Gramatica
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 101 KB
Your tags:
english, 2006
4
An Application of QM-QSAR to Predict and Rationalize the Refractive Index of a Wide Variety of Simple Organic/Organosilicon Molecules
Andrew J. Holder
,
Lin Ye
,
J. David Eick
,
Cecil C. Chappelow
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 183 KB
Your tags:
english, 2006
5
CNS Permeability of Drugs Predicted by a Decision Tree
Claudia Andres
,
Michael C. Hutter
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 437 KB
Your tags:
english, 2006
6
Partition Coefficient Kow of Benzene, Ethanol and Aniline in Benzene-ethanol and Aniline-benzene Mixtures and Coefficient of Distribution Kmix of these Mixtures
M. Rucki
,
M. Tichý
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 397 KB
Your tags:
english, 2006
7
Estimation of n-octanol/water Partition Coefficients (Kow) of all PCB Congeners by Ab initio and a Cl Substitution Position Method
Xiang-Yun Han
,
Zun-Yao Wang
,
Zhi-Cai Zhai
,
Lian-Sheng Wang
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 381 KB
Your tags:
english, 2006
8
A Linear QSPR Model for Prediction of Maximum Absorption Wavelength of Second-order NLO Chromophores
Jie Xu
,
Zhi Zheng
,
Biao Chen
,
Qijin Zhang
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 169 KB
Your tags:
english, 2006
9
QSTR with Extended Topochemical Atom Indices. 7. QSAR of Substituted Benzenes to Saccharomyces cerevisiae
Kunal Roy
,
Indrani Sanyal
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 164 KB
Your tags:
english, 2006
10
Literature Highlights in Combinatorial Science: Solution-phase Synthesis (abstracts 64–77)
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 131 KB
Your tags:
english, 2006
11
Literature Highlights in Combinatorial Science: Solid-phase synthesis (abstracts 78–86)
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 152 KB
Your tags:
english, 2006
12
Abstracts of QSAR-related Publications: Theoretical Papers
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 120 KB
Your tags:
english, 2006
13
Abstracts of QSAR-related Publications: Pharmacology
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 116 KB
Your tags:
english, 2006
14
Abstracts of QSAR-related Publications: Agricultural
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 94 KB
Your tags:
english, 2006
15
Abstracts of QSAR-related Publications: Chromatography
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 48 KB
Your tags:
english, 2006
16
Abstracts of QSAR-related Publications: Toxicology
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 58 KB
Your tags:
english, 2006
17
Abstracts of QSAR-related Publications: 3D QSAR
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 256 KB
Your tags:
english, 2006
18
Abstracts of QSAR-related Publications: Molecular Modelling
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 211 KB
Your tags:
english, 2006
19
Abstracts of QSAR-related Publications: Multivariate Analysis
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 201 KB
Your tags:
english, 2006
20
Abstracts of QSAR-related Publications: Data Base Search, de Novo
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 217 KB
Your tags:
english, 2006
21
Abstracts of QSAR-related Publications: Program, Algorithm
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 50 KB
Your tags:
english, 2006
22
Contents: QSAR Comb. Sci. 4/2006
Journal:
Molecular Informatics
Year:
2006
Language:
english
File:
PDF, 78 KB
Your tags:
english, 2006
23
Cover Picture: QSAR Comb. Sci. 4/2006
Journal:
Molecular Informatics
Year:
2006
File:
PDF, 329 KB
Your tags:
2006
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