Volume 26; Issue 3

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Molecular Informatics
Volume 26; Issue 3

Molecular Informatics

Volume 26; Issue 3

1

Accurate Prediction of the Folding Rate for Two-State Proteins Based on Amino Acid Sequences

Chunyan Zhao, Yu Zhu, Haixia Zhang, Mancang Liu, Botao Fan

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 502 KB

english, 2007

2

QSPR Study on the Aqueous Solubility (−lgSw) and n-Octanol/Water Partition Coefficients (lgKow) of Polychlorinated Dibenzo-p-dioxins (PCDDs)

Guo-Ying Yang, Jing Yu, Zun-Yao Wang, Xiao-Lan Zeng, Xue-Hai Ju

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 82 KB

english, 2007

3

QSAR Study of Aromatic Organochalcogens with Glutathione Peroxidase – like Antioxidant Activity

Katarina M. Nikolic

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 394 KB

english, 2007

4

Neighborhood Behavior: Validation of Two-Dimensional Molecular Similarity as a Predictor of Similar Biological Activities and Docking Scores

Gleb D. Perekhodtsev

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 247 KB

english, 2007

5

Neural Network Based QSPR Study for Predicting pKa of Phenols in Different Solvents

Jesús Jover, Ramón Bosque, Joaquim Sales

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 463 KB

english, 2007

6

Quantitative Structure Vasodilatory Activity Relationship – Synthesis and “In Silico” and “In Vitro” Evaluation of Resveratrol-Coumarin Hybrids

Santiago Vilar, Elías Quezada, Carlos Alcaide, Francisco Orallo, Lourdes Santana, Eugenio Uriarte

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 473 KB

english, 2007

7

Core Electron Binding Energy (CEBE) as Descriptors in Quantitative Structure–Activity Relationship (QSAR) Analysis of Cytotoxicities of a Series of Simple Phenols

Yuji Takahata, Masmoto Arakawa, Kimito Funatsu, Maria Cristina Andreazza Costa, Maximiliano Segala

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 243 KB

english, 2007

8

Comparison Between 2D and 3D-QSAR Approaches to Correlate Inhibitor Activity for a Series of Indole Amide Hydroxamic Acids

Alan R. Katritzky, Svetoslav H. Slavov, Dimitar A. Dobchev, Mati Karelson

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 668 KB

english, 2007

9

Molecular Surface Features in Modeling the HIV-1 RT Inhibitory Activity of 2-(2,6-Disubstituted phenyl)-3-(substituted pyrimidin-2-yl)-thiazolidin-4-ones

Ravindra K. Rawal, Yenamandra S. Prabhakar, Setu B. Katti

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 112 KB

english, 2007

10

Reactivity of Biologically Important NSAID Compounds with Superoxide (O2.−), nitric oxide (.NO) and Cyclooxygenase Inhibition

Carmen Pérez, Juan Sánchez, Federico Mármol, Pere Puig-Parellada, Ramon Pouplana

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 524 KB

english, 2007

11

SmiLib v2.0: A Java-Based Tool for Rapid Combinatorial Library Enumeration

Andreas Schüller, Volker Hähnke, Gisbert Schneider

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 342 KB

english, 2007

12

Abstracts of QSAR-related Publications: Theoretical

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 69 KB

english, 2007

13

Abstracts of QSAR-related Publications: Agricultural

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 56 KB

english, 2007

14

Abstracts of QSAR-related Publications: Pharmacology

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 102 KB

english, 2007

15

Abstracts of QSAR-related Publications: Organic Chemistry

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 124 KB

english, 2007

16

Abstracts of QSAR-related Publications: 3D QSAR

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 285 KB

english, 2007

17

Abstracts of QSAR-related Publications: Combinatorial Chemistry

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 62 KB

english, 2007

18

Abstracts of QSAR-related Publications: Multivariate Analysis

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 90 KB

english, 2007

19

Abstracts of QSAR-related Publications: Molecular Modeling

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 155 KB

english, 2007

20

Abstracts of QSAR-related Publications: Data Base, De Novo & Virtual Screening

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 102 KB

english, 2007

21

Abstracts of QSAR-related Publications: Algorithm

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 31 KB

english, 2007

22

Contents: QSAR Comb. Sci. 3/2007

Journal:

Molecular Informatics

Year:

2007

Language:

english

File:

PDF, 85 KB

english, 2007

23

Cover Picture: QSAR Comb. Sci. 3/2007

Journal:

Molecular Informatics

Year:

2007

File:

PDF, 308 KB

2007