Volume 33; Issue 4

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Journal of Chemical Information and Modeling
Volume 33; Issue 4

Journal of Chemical Information and Modeling

Volume 33; Issue 4

1

Study on structure-activity relationships of organic compounds: Three new topological indexes and their applications

Yao, Yuyuan, Xu, Lu, Yang, Yiqiu, Yuan, Xiushun

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 503 KB

english, 1993

2

Substructure searching methods: Old and new

Barnard, John M.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 1.00 MB

english, 1993

3

Predicting phosphorus NMR shifts using neural networks

West, Geoffrey M. J.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 2.13 MB

english, 1993

4

Inverse problem in QSAR/QSPR studies for the case of topological indexes characterizing molecular shape (Kier indices)

Skvortsova, Mariya I., Baskin, Igor I., Slovokhotova, Olga L., Palyulin, Vladimir A., Zefirov, Nikolai S.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 480 KB

english, 1993

5

Spectrum comparison of IR data taken from different spectrometers with various precision

Kavak, H., Esen, R.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 330 KB

english, 1993

6

New computer representation for chemical structures: Two-level compact connectivity tables

Wentang, Cheng, Ying, Zhang, Feibai, Yu

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 479 KB

english, 1993

7

Object-oriented programming applied to laboratory automation. 2. The object-oriented Chemical Information Manager for the Analytical Director

Zhou, T., Isenhour, T. L., Marshall, J. C.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 4.17 MB

english, 1993

8

How can parallel algorithms help to find new sequential algorithms?

Nagy, Zoltan M.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 294 KB

english, 1993

9

Systematic chemical nomenclatures in the computer age

Kirby, G. H., Polton, D. J.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 518 KB

english, 1993

10

Frequency of even and odd numbers in distance matrixes of trees

Lukovits, Istvan

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 392 KB

english, 1993

11

Design of molecules from quantitative structure-activity relationship models. 3. Role of higher order path counts: Path 3

Hall, Lowell H., Dailey, Robert S., Kier, Lemont B.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 708 KB

english, 1993

12

Structure searching in chemical databases by direct lookup methods

Christie, Bradley D., Leland, Burton A., Nourse, James G.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 274 KB

english, 1993

13

Knowledge based method for building molecular models

Ai, Zhuming, Wei, Yu

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 451 KB

english, 1993

14

Editorial. ACS Symposium on Modern Methods of Substructure Searching Washington, DC, August 1992

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 49 KB

english, 1993

15

Structured system of concepts for storing, retrieving, and manipulating chemical information

van der Vet, Paul E., Mars, Nicolaas J. I.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 666 KB

english, 1993

16

Substructure searching on very large files by using multiple storage techniques

Bartmann, Alexander, Maier, Helmut, Walkowiak, Dirk, Roth, Bernard, Hicks, Martin G.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 1.63 MB

english, 1993

17

Prediction of boiling points of organic heterocyclic compounds using regression and neural network techniques

Egolf, Leanne M., Jurs, Peter C.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 1.26 MB

english, 1993

18

Experimental system for similarity and 3D searching of CAS registry substances. 1. 3D substructure searching

Fisanick, William, Cross, Kevin P., Forman, J. Christopher, Rusinko, Andrew III

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 2.05 MB

english, 1993

19

Chem-X and CAMBRIDGE. Comparison of computer generated chemical structures with x-ray crystallographic data

Nicklaus, Marc C., Milne, George W. A., Zaharevitz, D.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 760 KB

english, 1993

20

Connectionist hyperprism neural network for the analysis of ion mobility spectra: An empirical evaluation

Bell, Suzanne E., Mead, W. C., Jones, R. D., Eiceman, Gary A., Ewing, Robert G.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 2.08 MB

english, 1993

21

Computer Software Reviews. RAIN - Reaction and Intermediates Networks, Version 2.0

Huang, Thomas T.-S.

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 127 KB

english, 1993

22

Book Reviews

Journal:

Journal of Chemical Information and Modeling

Year:

1993

Language:

english

File:

PDF, 88 KB

english, 1993