Volume 26; Issue 1

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Molecular Informatics
Volume 26; Issue 1

Molecular Informatics

Volume 26; Issue 1

1

Soft Computing Techniques Applied to Combinatorial Catalysis: A New Approach for the Discovery and Optimization of Catalytic Materials

Jose M. Serra, Avelino Corma, Soledad Valero, Estefania Argente, Vicente Botti

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 1.19 MB

english, 2007

2

Applying Novel Molecular Electronegativity-Interaction Vector (MEIV) to QSPR Study on Collision Cross Section of Singly Protonated Peptides

Peng Zhou, Hui Zeng, Fei-Fei Tian, Bo Li, Zhi-Liang Li

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 105 KB

english, 2007

3

QSAR Model for Prediction Capacity Factor of Molecular Imprinting Polymer Based on Gene Expression Programming

H. Z. Si, K. J. Zhang, Z. D. Hu, B. T. Fan

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 194 KB

english, 2007

4

Quantitative Structure–Activity Relationship Studies for the Binding Affinities of Imidazobenzodiazepines for the α6 Benzodiazepine Receptor Isoform Utilizing Optimized Blockwise Variable Combination by Particle Swarm Optimization for Partial Least Squares Modeling

Leqian Hu, Hailong Wu, Weiqi Lin, Jianhui Jiang, Ruqin Yu

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 242 KB

english, 2007

5

Modeling of the Inhibition Constant (Ki) of Some Cruzain Ketone-Based Inhibitors Using 2D Spatial Autocorrelation Vectors and Data-Diverse Ensembles of Bayesian-Regularized Genetic Neural Networks

Julio Caballero, Alain Tundidor-Camba, Michael Fernández

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 298 KB

english, 2007

6

Integrated Computational Methods for Prediction of the Lowest Observable Adverse Effect Level of Food-Borne Molecules

Leila Tilaoui, Benoît Schilter, Liên-Anh Tran, Paolo Mazzatorta, Martin Grigorov

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 448 KB

english, 2007

7

Controlled Microwave Heating as an Enabling Technology: Expedient Synthesis of Protease Inhibitors in Perspective

Mats Larhed, Johan Wannberg, Anders Hallberg

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 418 KB

english, 2007

8

QSTR Study of Small Organic Molecules Against Tetrahymena pyriformis

Farhan Ahmad Pasha, Hemant Kumar Srivastava, Anupma Srivastava, Pashupati Prasad Singh

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 290 KB

english, 2007

9

Comparison of Predictivities of Log P Calculation Models Based on Experimental Data for 134 Simple Organic Compounds

Yuki Sakuratani, Kenji Kasai, Yoshiyuki Noguchi, Jun Yamada

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 288 KB

english, 2007

10

3D-QSAR CoMFA Study on Aminothiazole Derivatives as Cyclin-Dependent Kinase 2 Inhibitors

Nigus Dessalew, Prasad V. Bharatam, Sanjeev Kumar Singh

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 209 KB

english, 2007

11

Abstracts of QSAR-related Publications: Theoretical Papers

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 40 KB

english, 2007

12

Abstracts of QSAR-related Publications: Pharmacology

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 95 KB

english, 2007

13

Abstracts of QSAR-related Publications: ADME

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 82 KB

english, 2007

14

Abstracts of QSAR-related Publications: 3D QSAR

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 145 KB

english, 2007

15

Abstracts of QSAR-related Publications: Quantum Chemistry

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 108 KB

english, 2007

16

Abstracts of QSAR-related Publications: Combinatorial Chemistry

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 133 KB

english, 2007

17

Abstracts of QSAR-related Publications: Data Base Search & Virtual Screening

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 342 KB

english, 2007

18

Abstracts of QSAR-related Publications: Multivariate Analysis

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 66 KB

english, 2007

19

Abstracts of QSAR-related Publications: Melecular Modelling

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 347 KB

english, 2007

20

Abstracts of QSAR-related Publications: Program, Algorithm

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 189 KB

english, 2007

21

From 1982 to 2003 to 2007 – Milestones in a Journal's History

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 122 KB

english, 2007

22

Cover Picture: QSAR Comb. Sci. 1/2007

Journal:

Molecular Informatics

Year:

2007

File:

PDF, 416 KB

2007

23

Contents: QSAR Comb. Sci. 1/2007

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 562 KB

english, 2007