Volume 37; Issue 2

Main
Journal of Chemical Information and Modeling
Volume 37; Issue 2

Journal of Chemical Information and Modeling

Volume 37; Issue 2

1

Computational Neural Networks in Conjunction with Principal Component Analysis for Resolving Highly Nonlinear Kinetics

Ventura, S., Silva, M., Perez-Bendito, D., Hervas, C.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 143 KB

english, 1997

2

Eccentric Connectivity Index: A Novel Highly Discriminating Topological Descriptor for Structure-Property and Structure-Activity Studies

Sharma, V., Goswami, R., Madan, A.K.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 423 KB

english, 1997

3

On Calculation of the Detour Index

Lukovits, I., Razinger, M.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 96 KB

english, 1997

4

Cluj Matrix Invariants

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 131 KB

english, 1997

5

QSAR Based on Multiple Linear Regression and PLS Methods for the Anti-HIV Activity of a Large Group of HEPT Derivatives

Luco, J.M., Ferretti, F.H.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 151 KB

english, 1997

6

Visualization of Regional Properties of Hardness and Softness in Molecules

Bogel, H., Hansen, S., Laube, U.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 129 KB

english, 1997

7

GA Strategy for Variable Selection in QSAR Studies: GA-Based PLS Analysis of Calcium Channel Antagonists

Hasegawa, K., Miyashita, Y., Funatsu, K.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 106 KB

english, 1997

8

Neural Network Method To Analyze Data Compression in DNA and RNA Sequences

Alvager, T., Graham, G., Hutchison, D., Westgard, J.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 55 KB

english, 1997

9

Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont. 2. Aftertreated (Post-treated), Alternating/Periodic, and Block Polymers

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 490 KB

english, 1997

10

Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont. 3. Comb/Graft, Cross-Linked, and Dendritic/Hyperconnected/Star Polymers

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 486 KB

english, 1997

11

An Exponentially Fitted Method for the Numerical Solution of the Schrödinger Equation

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 140 KB

english, 1997

12

Indices of Reciprocal Properties or Harary Indices

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 217 KB

english, 1997

13

SpecSolv: Artificially Intelligent or Artificially Innovative?

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 90 KB

english, 1997

14

Accord for Excel

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 43 KB

english, 1997

15

Automated Resonance Assignment of Proteins Using Heteronuclear 3D NMR. 1. Backbone Spin Systems Extraction and Creation of Polypeptides

Li, K.-B., Sanctuary, B.C.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 272 KB

english, 1997

16

ChemWindow DB (4.0)

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 16 KB

english, 1997

17

An Efficient Method of Determining Diffusion Coefficients Using Eigenfunction Expansions

Yip, K., Tam, K.Y., Yiu, K.F.C.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 235 KB

english, 1997

18

Wiener Numbers of Phenylenes: An Exact Result

Pavlovic, L., Gutman, I.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 92 KB

english, 1997

19

The Use of Robust Smoothers in Nuclear Material Safeguards

Grznar, J., Booth, D.E., Sebastian, P.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 78 KB

english, 1997

20

A Robust Smoothing Approach to Statistical Process Control

Grznar, J., Booth, D.E., Sebastian, P.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 123 KB

english, 1997

21

Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont. 4. Stereochemistry, Inorganic, Coordination, Double-Strand, Polysiloxanes, Oligomers, Telomers

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 326 KB

english, 1997

22

Computational Chemistry Using the PC . By Donald W. Rogers. VCH: New York. 1994. 247 pp. $65.00. ISBN 1-56081-672-4.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 26 KB

english, 1997

23

Automated Spectrum Simulation Methods for Carbon-13 Nuclear Magnetic Resonance Spectroscopy Based on Database Retrieval and Model-Building Strategies

Schweitzer, R.C., Small, G.W.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 127 KB

english, 1997

24

World Databases in Chemistry. Edited by C. J. Armstrong. World Databases Series. Bowker Saur: NJ. 1996. 1200 pages. $235.00. ISBN 1-85739-101-2.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 29 KB

english, 1997

25

Fundamental Difference That Exists between Synthetic versus Analytic Chemical Nomenclature

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 67 KB

english, 1997

26

SpecSolv-An Innovation at Work

Will, M., Richert, J.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 39 KB

english, 1997

27

Conformational Study in Water by NMR and Molecular Modeling of α-Methyl-α-Amino Acid: Differential Conformational Properties of α-Cyclic and α-Methylglutamic Acid

Todeschi, N., Gharbi-Benarous, J., Arulmozhi, V., Acher, F., Azerad, R., Girault, J.-P.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 289 KB

english, 1997

28

Spectral Moments of the Edge-Adjacency Matrix of Molecular Graphs. 2. Molecules Containing Heteroatoms and QSAR Applications

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 257 KB

english, 1997

29

EndNote Plus 2.1 for Windows 3.1

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 19 KB

english, 1997

30

Developing Molecular Identification Numbers by an All-Paths Method

Hu, C.-Y., Xu, L.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 568 KB

english, 1997

31

Computer-Aided Molecular Design. Theory and Practice. By Jean-Pierre Doucet and Jacques Weber. Academic Press: San Diego. 1996. 457 pp. ISBN 0-12-221285-1. $89.95.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 37 KB

english, 1997

32

A New N-Channel Maximum Entropy Method in NMR for Automatic Reconstruction of "Decoupled Spectra" and J-Coupling Determination

Stoven, V., Annereau, J.P., Delsuc, M.A., Lallemand, J.Y.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 162 KB

english, 1997

33

Molecular Modeling from Virtual Tools to Real Problems . Edited by Thomas F. Kumosinski and Michael N. Liebman. ACS Symposium Series 576, American Chemical Society: Washington, DC. 1994. 516 pp with bibliographical references and index. $119.95. ISBN 0-8412-3042-0.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 26 KB

english, 1997

34

Multiple-Level Polymer Registration in the DuPont SCION Database

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

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 382 KB

english, 1997

35

Polymer Nomenclature and Structure: A Comparison of Systems Used by CAS, IUPAC, MDL, and DuPont. 1. Regular Single-Strand Organic Polymers

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 973 KB

english, 1997

36

Neural Network Prediction of the Solvatochromic Polarity/Polarizability Parameter %@mt;sys@%%@fv;1@%π%@sx@%2%@be@%H%@sxx@%%@fv;4@%%@mx@%[S_EL2;quad]

Svozil, D., Sevcik, J.G.K., Kvasnicka, V.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 165 KB

english, 1997

37

Trees with Extremal Hyper-Wiener Index: Mathematical Basis and Chemical Applications

Gutman, I., Linert, W., Lukovits, I., Dobrynin, A.A.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 139 KB

english, 1997

38

Classical and Three-Dimensional QSAR in Agro-chemistry . Edited by Corwin Hansch and Toshio Fujita. ACS Symposium Series 606. American Chemical Society: Washington. 1995. x + 342 pp. $88.95. ISBN 0-8412-3321-7.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 37 KB

english, 1997

39

Bibliometrics of Alkaloid Chemistry Research in India

Karki, M.M.S., Garg, K.C.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 90 KB

english, 1997

40

GraphPad Prism, Data Analysis, and Scientific Graphing

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 44 KB

english, 1997

41

Simulation of First-Order Chemical Kinetics Using Cellular Automata

Seybold, P.G., Kier, L.B., Cheng, C.-K.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 191 KB

english, 1997

42

META. 3. A Genetic Algorithm for Metabolic Transform Priorities Optimization

Klopman, G., Tu, M., Talafous, J.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 128 KB

english, 1997

43

CODESSA Version 2.13 for Windows

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 25 KB

english, 1997

44

Review of Pro-Cite 3 for Windows

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 31 KB

english, 1997

45

Model Reduction in the Computational Modeling of Reaction Systems

Forsythe, R.G., Mavrovouniotis, M.L.

Journal:

Journal of Chemical Information and Modeling

Year:

1997

Language:

english

File:

PDF, 131 KB

english, 1997