Volume 23; Issue 9

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Molecular Informatics
Volume 23; Issue 9

Molecular Informatics

Volume 23; Issue 9

1

Prediction of the Solubility, Activity Coefficient and Liquid/Liquid Partition Coefficient of Organic Compounds

S. H. Hilal, S. W. Karickhoff, L. A. Carreira

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 169 KB

english, 2004

2

Comparison of Different Classification Methods Applied to a Mode of Toxic Action Data Set

Simon Spycher, Monika Nendza, Johann Gasteiger

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 237 KB

english, 2004

3

(Q)SARs for Predicting Skin Irritation and Corrosion: Mechanisms, Transparency and Applicability of Predictions

John D. Walker, Ingrid Gerner, Etje Hulzebos, Kerstin Schlegel

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 342 KB

english, 2004

4

Use of Physicochemical Property Limits to Develop Rules for Identifying Chemical Substances with no Skin Irritation or Corrosion Potential

Ingrid Gerner, Kerstin Schlegel, John D. Walker, Etje Hulzebos

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 139 KB

english, 2004

5

Highly Correlating Distance-Connectivity-Based Topological Indices. 2: Prediction of 15 Properties of a Large Set of Alkanes Using a Stepwise Factor Selection-Based PCR Analysis

Mojtaba Shamsipur, Raoof Ghavami, Bahram Hemmateenejad, Hashem Sharghi

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 524 KB

english, 2004

6

Simulation-Based Predictions of Binding Affinities of Matrix Metalloproteinase Inhibitors

Akash Khandelwal, Viera Lukacova, Daniel M. Kroll, Dogan Çömez, Soumyendu Raha, Stefan Balaz

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 382 KB

english, 2004

7

Using Artificial Neural Networks to Boost High-throughput Discovery in Heterogeneous Catalysis

L. Baumes, D. Farrusseng, M. Lengliz, C. Mirodatos

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 371 KB

english, 2004

8

Contents: QSAR Comb. Sci. 9/2004

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 218 KB

english, 2004

9

Abstracts of QSAR-related Publications 9/2004

Journal:

Molecular Informatics

Year:

2004

Language:

english

File:

PDF, 798 KB

english, 2004