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Volume 27; Issue 2
Main
Molecular Informatics
Volume 27; Issue 2
Molecular Informatics
Volume 27; Issue 2
1
Quantitative Structure–Retention Relationship Study of a Variety of Compounds in Reversed-Phase Liquid Chromatography: A PLS-MLR-STANN Approach
M. Jalali-Heravi
,
Z. Garkani-Nejad
,
A. Kyani
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 407 KB
Your tags:
english, 2008
2
Determination of Carbon 1s Core Ionization Energies in Saturated Molecules
Chenzhong Cao
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 564 KB
Your tags:
english, 2008
3
In Silico Prediction of Inhibition Activity of Pyrazine–Pyridine Biheteroaryls as VEGFR-2 Inhibitors Based on Least Squares Support Vector Machines
Jiazhong Li
,
Jin Qin
,
Huanxiang Liu
,
Xiaojun Yao
,
Mancang Liu
,
Zhide Hu
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 250 KB
Your tags:
english, 2008
4
QSPR Studies for Solubility Parameter by Means of Genetic Algorithm-Based Multivariate Linear Regression and Generalized Regression Neural Network
Farhad Gharagheizi
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 264 KB
Your tags:
english, 2008
5
Applying Novel Three-Dimensional Holographic Vector of Atomic Interaction Field to QSAR Studies of Artemisinin Derivatives
Yanrong Ren
,
Guoping Chen
,
Zongli Hu
,
Xuqing Chen
,
Bo Yan
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 413 KB
Your tags:
english, 2008
6
Centralized Data Management in Materials Research Projects with Several Partners at Different Locations
Michael Mentges
,
Simone Sieg
,
Christian Schröter
,
Andreas Frantzen
,
Wilhelm F. Maier
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 1.22 MB
Your tags:
english, 2008
7
Comment on “Comparison of Predictivities of Log P Calculation Models Based on Experimental Data for 134 Simple Organic Compounds” by Y. Sakuratani, K. Kasai, Y. Noguchi, and J. Yamada, QSAR Comb. Sci. 2007, 26, 109–116
Carsten Wittekindt
,
Andreas Klamt
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 134 KB
Your tags:
english, 2008
8
Enthalpy of Solvation Correlations For Gaseous Solutes Dissolved in Linear Alkanes (C5C16) Based on the Abraham Model
Christina Mintz
,
Katherine Burton
,
William E. Acree Jr.
,
Michael H. Abraham
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 280 KB
Your tags:
english, 2008
9
Reply to the “Comment on Comparison of Predictivities of Log P Calculation Models Based on Experimental Data for 134 Simple Organic Compounds” by Wittekindt et al.
Yuki Sakuratani
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 121 KB
Your tags:
english, 2008
10
An Atom Counting QSPR Protocol
Santanab Giri
,
Dehesh R. Roy
,
Sofie Van Damme
,
Patrick Bultinck
,
Venkatesan Subramanian
,
Pratim K. Chattaraj
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 307 KB
Your tags:
english, 2008
11
Data Analysis in Combinatorial Experiments: Applying Supervised Principal Component Technique to Investigate the Relationship Between ToF-SIMS Spectra and the Composition Distribution of Ternary Metallic Alloy Thin Films
Rossana Dell'Anna
,
Paolo Lazzeri
,
Roberto Canteri
,
Christian J. Long
,
Jason Hattrick-Simpers
,
Ichiro Takeuchi
,
Mariano Anderle
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 449 KB
Your tags:
english, 2008
12
Abstracts of QSAR-related Publications: Theoretical
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 243 KB
Your tags:
english, 2008
13
Abstracts of QSAR-related Publications: Pharmacology
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 287 KB
Your tags:
english, 2008
14
Abstracts of QSAR-related Publications: Agricultural
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 192 KB
Your tags:
english, 2008
15
Abstracts of QSAR-related Publications: Environmental Science, Toxicology
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 225 KB
Your tags:
english, 2008
16
Abstracts of QSAR-related Publications: ADME
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 154 KB
Your tags:
english, 2008
17
Abstracts of QSAR-related Publications: 3D-QSAR
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 428 KB
Your tags:
english, 2008
18
Abstracts of QSAR-related Publications: Molecular Modelling
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 272 KB
Your tags:
english, 2008
19
Abstracts of QSAR-related Publications: Data Base Search & Virtual Screening
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 343 KB
Your tags:
english, 2008
20
Contents: QSAR Comb. Sci. 2/2008
Journal:
Molecular Informatics
Year:
2008
Language:
english
File:
PDF, 418 KB
Your tags:
english, 2008
21
Cover Picture: QSAR Comb. Sci. 2/2008
Journal:
Molecular Informatics
Year:
2008
File:
PDF, 304 KB
Your tags:
2008
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