Volume 36; Issue 4

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Journal of Chemical Information and Modeling
Volume 36; Issue 4

Journal of Chemical Information and Modeling

Volume 36; Issue 4

1

Molecular Lipophilic Potential on van der Waals Surfaces as a Tool in the Study of 4-Alkylpyrazoles

Rozas, I., Martin, M.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 163 KB

english, 1996

2

QSAR Analysis of Indole Analogues as Monoamine Oxidase Inhibitors

Medvedev, A.E., Ivanov, A.S., Veselovsky, A.V., Skvortsov, V.S., Archakov, A.I.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 396 KB

english, 1996

3

The United Kingdom Chemical Database Service

Fletcher, D.A., McMeeking, R.F., Parkin, D.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 170 KB

english, 1996

4

Four Association Coefficients for Relating Molecular Similarity Measures

Cheng, C., Maggiora, G., Lajiness, M., Johnson, M.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 266 KB

english, 1996

5

Wiener and Hyper-Wiener Numbers in a Single Matrix

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 154 KB

english, 1996

6

Prediction of the Impact Sensitivity by Neural Networks

Nefati, H., Cense, J.-M., Legendre, J.-J.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 103 KB

english, 1996

7

13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks

Ivanciuc, O., Rabine, J.-P., Cabrol-Bass, D., Panaye, A., Doucet, J.P.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 170 KB

english, 1996

8

Rebuilding Connectivity Matrices from Two-Atom Fragments Using the Genetic Algorithm

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 123 KB

english, 1996

9

A Topological Index Based on Distances of Edges of Molecular Graphs

Estrada, E., Gutman, I.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 96 KB

english, 1996

10

Molecular Diversity in Chemical Databases: Comparison of Medicinal Chemistry Knowledge Bases and Databases of Commercially Available Compounds

Cummins, D.J., Andrews, C.W., Bentley, J.A., Cory, M.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 387 KB

english, 1996

11

Spectral Moments of the Edge Adjacency Matrix in Molecular Graphs. 1. Definition and Applications to the Prediction of Physical Properties of Alkanes

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 102 KB

english, 1996

12

An Analysis of the Conserved Residues between Halobacterial Retinal Proteins and G-Protein Coupled Receptors: Implications for GPCR Modeling

Metzger, T.G., Paterlini, M.G., Portoghese, P.S., Ferguson, D.M.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 127 KB

english, 1996

13

Computer Generation of Molecular Structures by the SMOG Program

Molchanova, M.S., Shcherbukhin, V.V., Zefirov, N.S.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 368 KB

english, 1996

14

A Bond Flexibility Index Derived from the Constitution of Molecules

von der Lieth, C.-W., Stumpf-Nothof, K., Prior, U.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 350 KB

english, 1996

15

Computerized Molecular Modeling as a Tool To Improve Chemistry Teaching

Barnea, N., Dori, Y.J.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 168 KB

english, 1996

16

Identification of Structural Features from Mass Spectrometry Using a Neural Network Approach: Application to Trimethylsilyl Derivatives Used for Medical Diagnosis

Eghbaldar, A., Forrest, T.P., Cabrol-Bass, D.P., Cambon, A., Guigonis, J.-M.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 245 KB

english, 1996

17

Generating Fullerenes at Random

Plestenjak, B., Pisanski, T., Graovac, A.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 131 KB

english, 1996

18

A New Modular Architecture for Chemical Structure Elucidation Systems

Strokov, I.I., Lebedev, K.S.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 171 KB

english, 1996

19

Spreadsheet and Computing Language for a Chemical Application

Viossat, V., Dereigne, A.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 227 KB

english, 1996

20

Bioinformatics: From Nucleic Acids and Proteins to Cell Metabolism. Edited by Dietmar Schomburg, Uta Lessel. GBF Monographs; Vol. 18. VCH: Weinheim, Germany. 195 pp. ISBN 3-527-30072-4. DM148.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 27 KB

english, 1996

21

Automatic Extraction of Analytical Chemical Information. System Description, Inventory of Tasks and Problems, and Preliminary Results

Postma, G.J., van Bakel, B., Kateman, G.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 328 KB

english, 1996

22

ChemPlus for Windows

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 61 KB

english, 1996

23

Prediction of Polymer Glass Transition Temperatures Using a General Quantitative Structure-Property Relationship Treatment

Katritzky, A.R., Rachwal, P., Law, K.W., Karelson, M., Lobanov, V.S.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 120 KB

english, 1996

24

Computational Chemistry: A Way To Reach Spectroscopic and Thermodynamic Data for Exotic Compounds

Bouyer, F., Picard, G., Legendre, J.-J.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 554 KB

english, 1996

25

The Use of Computer Based Structure-Activity Relationships in the Risk Assessment of Industrial Chemicals

Karcher, W., Karabunarliev, S.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 246 KB

english, 1996

26

Caught in a CrossFire: Academic Libraries and Beilstein

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 139 KB

english, 1996

27

Edge Adjacency Relationships and Molecular Topographic Descriptors. Definition and QSAR Applications

Estrada, E., Ramirez, A.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 160 KB

english, 1996

28

Inverting Laplace-Kirchhoff Matrices from Their Roots

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 64 KB

english, 1996

29

Similarity Searching in Files of Three-Dimensional Chemical Structures: Flexible Field-Based Searching of Molecular Electrostatic Potentials

Thorner, D.A., Wild, D.J., Willett, P., Wright, P.M.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 192 KB

english, 1996

30

The Dynamic Environment. By Leonard J. Soltzberg. University Science Books: Sausalito, CA. 1996. 209 pp. $58.00. ISBN 0-935702-38-5. Includes: Consider a Spherical Cow. A Course in Environmental Problem Solving. By John Harte. University Science Books: Sausalito, CA. 1988. 283 pp. ISBN 0-935702-58-X.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 27 KB

english, 1996

31

Neural Network Studies. 2. Variable Selection

Tetko, I.V., Villa, A.E.P., Livingstone, D.J.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 230 KB

english, 1996

32

"The Mole Environment"-Development and Implementation of Studyware

Dori, Y.J., Hameiri, M.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 171 KB

english, 1996

33

A Desktop Calculator for the Karplus Equation

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 103 KB

english, 1996

34

Stochastic Generator of Chemical Structure. 2. Using Simulated Annealing To Search the Space of Constitutional Isomers

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 310 KB

english, 1996

35

Conformational Study in Water by NMR and Molecular Modeling of Cyclic Glutamic Acid Analogues as Probes of Vitamin K Dependent Carboxylase

Larue, V., Gharbi-Benarous, J., Archer, F., Azerad, R., Girault, J.-P.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 303 KB

english, 1996

36

The Internet: A Guide for Chemists. Edited by Stephen M. Bachrach. American Chemical Society: Washington, DC. 1996. 344 pp. 0-8412-3223-7.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 27 KB

english, 1996

37

Molecular Modeling in the Discovery of Drug Leads

Milne, G.W.A., Wang, S., Nicklaus, M.C.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 146 KB

english, 1996

38

Stigmata: An Algorithm To Determine Structural Commonalities in Diverse Datasets

Shemetulskis, N.E., Weininger, D., Blankley, C.J., Yang, J.J., Humblet, C.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 428 KB

english, 1996

39

HyperNMR for Windows

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 29 KB

english, 1996

40

Detection of Constitutionally Equivalent Sites from a Connection Table

Fan, B.T., Barbu, A., Panaye, A., Doucet, J.-P.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 267 KB

english, 1996

41

Link between Orthogonal and Standard Multiple Linear Regression Models

Soskic, M., Plavsic, D., Trinajstic, N.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 96 KB

english, 1996

42

Using New Reasoning Technology in Chemical Information Systems

Judson, P.N., Fox, J., Krause, P.J.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 72 KB

english, 1996

43

Determination of Topological Equivalence Classes of Atoms and Bonds in C20-C60 Fullerenes Using a New Prolog Coding Program

Laidboeur, T., Cabrol-Bass, D., Ivanciuc, O.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 604 KB

english, 1996

44

Education Program for Macromolecules Structure Examination

Ivanov, A.S., Rumjantsev, A.B., Skvortsov, V.S., Archakov, A.I.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 359 KB

english, 1996

45

Neural Nets for the Simulation of Molecular Recognition within MS-Windows Environment

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 533 KB

english, 1996

46

Isomer Enumeration of Alkenes and Aliphatic Cyclopropane Derivatives

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 79 KB

english, 1996

47

A Nomenclature and Structural Representation System for Ladder and Spiro Polymers

Schultz, J.L., Wilks, E.S.

Journal:

Journal of Chemical Information and Modeling

Year:

1996

Language:

english

File:

PDF, 338 KB

english, 1996

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