A Study of Chemical Compound of Graph with help of Computer Coding

Main Article Content

Sudhir Prakash
Rakesh Kumar
Piyush Rai
Shiksha Jain
Manish Singh
Rajnish Pandey
Saanidhya Dubey
Shobhit Srivatava
Anoop K Srivastava

Abstract

In this research work we study about the outline of graph structures algorithms required for the recognition of chemical graphs by a computer automatic encoding of organic chemical structures into the line formula notation. During the study we will first classify chemical graph then find a planar projection and fundamental cycles of a chemical graph with its characterization. Then we draw that for automatic construction code from the connection table for this we need some algorithms. Thus a graph structure language like GRAAL should prove useful for chemical coding systems. Further development along these lines should be helpful in coding knotted chemical structures.

Downloads

Download data is not yet available.

Metrics

Metrics Loading ...

Article Details

How to Cite
Prakash, S., Kumar, R. ., Rai, P., Jain, S. ., Singh, M. ., Pandey, R. ., Dubey , . S. ., Srivatava, . S. ., & Srivastava, . A. K. . (2019). A Study of Chemical Compound of Graph with help of Computer Coding. Turkish Journal of Computer and Mathematics Education (TURCOMAT), 10(3), 1553–1564. https://doi.org/10.61841/turcomat.v10i3.14357
Section
Research Articles

References

Krishnamurthy, E.V., Sankar, P.V. and Krishnan, S., ALWIN-Algorithmic Wishwesser

Notation for Organic Compounds, J. Chem. Doc. Vol. 14 (3), 130-146 (1974).

Smith, E.G., The Wiswesser Lino Formula Chemical Notation, MeGraw-Hill, 1968.

King, C.A., A graph-Theoretic Programming Language, pp. 63-76 in Graph Theory and

Computing, Editor, R.C. Road, Academic Press, 1972.

Rheinboldt, W.C., Basili, V.R. and Mesztenyi, C.K., on a programming language for

graph algorithms, BIT, 12, pp. 220-241, 1972.

Mesztenyi, C., Rheinboldt, W.C., and Shepherd, R., Graph Structure Algorithms in F

GRAAL. TR-225, University of Maryland, Computer science Center, College Park, Maryland, January, 1973.

Montanari, U., Separable Graphs, Plannar Graphs andWeb Grammars, Information

and Control, 16, 243-267, 1970.

Pfaltz, J. and Rosenfeld, A., Web Grammars, TR-69-84, University of Maryland, Computer Science Center,College Park, Maryland, 1969.

Pavlidis, T., Linear and Context Free Graph Grammars, J. A.C.M. 19, 11-22, 1972.

Abe, N., Mizumoto, M., Toyodo, J., Tanaka, K., Web Grammars and SeveralGraphs, J. Comp. Sys. Sc. I, 37-65, 1973.

Shanks, H.S., Graph Property Recognition Machines, Syst. Theory, 5, 45-50, 1971.

Rosenstiehl, P., Fiksel, J.R. and Hollinges, A., Intelligent Graphs: Networks of Finite

Automata Capable of Solving Graph Problems, 219-267, in Graph Theory and

Computing, Editor, R.C. Road, Academic Press, 1972.

Levitt, K.N. and Kutz,W.H., Cellular Arrays for the Solution of Graph Problems, Comm. ACM, 15, 789-801, 1972. 13. Behzad, M., and Chartrand, G., Introduction to the Theory of Graphs, Allyn and Bacon, 1971.

Road, R.C., Graph Theory Algorithms, in Graph Theory and its Applications, Academic

Press, 1970.

Weinberg, L.,Linear Graphs Theorems, Algorithms and Applications, in Asdpects of

Networks and System Theory, Editors, Kalman, R.E., Delaris, N., Holt, Rineheart and

Winston, 1971.

Paton, K., An Algorithm for the Blocks and Cut Nodes of a Graph, Comm. ACM, 14, 468-475, 1971.

Knuth, D.E., Art of Computer Programming, Vol. I, Addison-wesley, 1969.

Harary, F., Graph Theory, Addison-Wesley, 1969.

Berge, C.E., Theory of Graphs and its Applications, Mothuon, Landon, 1962.

Busakker, R.G., and Saaty, T.L., Finite Graphs and Networks, McGraw Hill, 1965.

Road, R.C., Teaching Graph Theory to a Computer, in Advances in Combinatorics, Ediror, W. Tutte, Academic Press, 1969.

Kuratowski,C., Sur le Problems des CourbesGauchesonTopologie, Fundamenta Math., 15, 271-83, 1930.

Whitney, H., Non-separable Plannar Graphs, Trans. Am. Math. Soc., 34, 339-362, 1932.

Maclane, S., A Combinatorial Condition for Plannar Graphs, Fundamental Math., 28, 22-32, 1937.

Fary, I., On Straight Line Representation of Plannar Graphs, Aea. Sci. Math. 11, 229-33, 1948.

Wagner, K., BemerkungenZumVierfarben Problem. J. Bes. Deutsch Math. Verein 46, 21-22, 1936.

Tutto, W.T., How to Draw a Grpah, Proc. Lond. Math. Soc. 13, 743-768, 1963.

Fisher, G.J. Wing, O., Computer Recognition and Extraction of Plannar Graphs from

the Incident Matrix, IEEE Trans. Circuit Theory, CT-13, 154-163, 1966.

Nicholson, T.A.J., Permutation Procedure for Minimizing the Number of Crossings in

a Network, Proc. IEE (London), 115, 21-26, 1968.

Dunn, W.R., and Cahn, S.P., An Algorithm for Testing the Planarity of a Graph, IEEE

Trans. Circuit Theory, CT-15, 116-71, 1968.

Corey, E.J., and Petersson, A., An Algorithm for Machnic Perception of Synthetically

Significant Rings in Complex Cyclic Organic Structures, J. Anor. Chem. Soc., 94, 460- 470, 1972.

Gotlieb C.C. and Corneil, D.G., Algorithms for Finding a Fundamental Set of Cycles for

an Undirected Linear Graph, Comm. A.C.M. 10, 780-83, 1967.

Paton, K.A., An Algorithm for Finding the Fundamental Set of Cycles of Finite Directed

Graph, J. A.C.M., 12, 514-518, 1969.

Weinblatt, H., A New Search Algorithm for Finding Simple cycles of a Finite Directed

Graph, J. A.C.M., 19, 63-65, 1972.

Fugmann, R., Dolling, U., and Nickelson, H., A Topological Approach to the Problem of

Ring Structures, Angew. Chem., Int. Ed. Engl., 6, 723-30, 1967.

Read, R.C., The Coding of Various Kinds of Unlabelled Trees, in Graph Theory and

Computing, Editor, R.C. Read. Academic Press, 1972, 153-183.

Crippen, G.M., Topology of Globular Preteins, J. Theor, Biology, 45, 327-338, 1974.

Davis, G.S., Encoding and Deceding of Plannar Graphs, M.S, Thesis, University. Of

Toronto, 1966.

Krishnan, S. and Krishnamurthy, E.V., Compact grammar for Algorithmic Wishwesser

Notation using Morgan name, Information Processing and Management, 12, 19-34, 1976.

Krishnamurthy, E.V., Data-base Interface between ALWIN and fragmentary codes, Information Processing and Management, in Press.

Kochen, M., Automatic question-answering of English like questions about simple

diagrans, J. A.C.M. 16, 26-48, 1969.

Simmons, R.F., Answering English questions by a computer – A survey, Comm. A.C.M. 8, 53-70, 1965.