×

Structure-activity maps for visualizing the graph variables arising in drug design. (English) Zbl 0800.92106


MSC:

92C40 Biochemistry, molecular biology
92E10 Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
05C90 Applications of graph theory
Full Text: DOI

References:

[1] Fujita T, J Am Chem Soc 86 pp 7175– (1964)
[2] DOI: 10.1021/jm00334a001 · doi:10.1021/jm00334a001
[3] Franke R, Theoretical Drug Design Methods (1984)
[4] DOI: 10.1021/jm00284a016 · doi:10.1021/jm00284a016
[5] Hansch C, Substituent Constants for Correlation Analysis in Chemistry and Biology (1979)
[6] Randić M, Concepts and Applications of Molecular Similarity pp 77– (1990)
[7] Kier LB, Molecular Connectivity in Structure-Activity Analysis. (1986)
[8] DOI: 10.1016/0166-218X(88)90004-2 · doi:10.1016/0166-218X(88)90004-2
[9] Carhart RE, J Chem Inf Comput Sci 25 pp 64– (1985)
[10] DOI: 10.1021/ja00336a004 · doi:10.1021/ja00336a004
[11] Stuper AJ, Computer Assisted Studies of Chemical Structure and Biological Function (1979)
[12] DOI: 10.1021/ja00226a005 · doi:10.1021/ja00226a005
[13] Johnson MA, Concepts and Applications of Molecular Similarity Analysis (1990)
[14] DOI: 10.1007/BF01166045 · doi:10.1007/BF01166045
[15] Behzad M, Graphs and Digraphs (1979)
[16] Johnson MA, Graph Theory, Combinatorics, and Applications, 2 pp 725– (1988)
[17] Johnson MA, Graph Theory with Applications to Algorithms and Computer Science pp 457– (1985)
[18] Hevia, H. 1991. ”Representation of chemical reactions by labeled graphs. Ph.D dissertation”. Kalamazoo, MI: Western Michigan University.
[19] Nicholson V, Graph Theory and Topology in Chemistry pp 226– (1987)
[20] Shepard RN, Multidimensional Scaling:Theory and Applications in the Behavioral Sciences (1972)
[21] Barthélemy J-P, Trees and Proximity Representations (1991)
[22] DOI: 10.1016/0031-3203(80)90066-7 · Zbl 0437.05050 · doi:10.1016/0031-3203(80)90066-7
[23] DOI: 10.1111/j.1538-4632.1980.tb00031.x · doi:10.1111/j.1538-4632.1980.tb00031.x
[24] Toussaint GT, Computational Morphology pp 229– (1988)
[25] Kruskal J, Classification and Clustering pp 17– (1977) · doi:10.1016/B978-0-12-714250-0.50006-1
[26] Dearholt DW, Pathfinder Associative Networks: Studies in Knowledge Organization pp 1–
[27] DOI: 10.1021/jm00222a020 · doi:10.1021/jm00222a020
[28] DOI: 10.1126/science.959816 · doi:10.1126/science.959816
[29] Lorenzen TJ, Encyclopedia of Statistical Sciences, 8 pp 533– (1988)
[30] Gifford EM, J Chem Inf Comput Sci 32 pp 591– (1992) · doi:10.1021/ci00010a004
This reference list is based on information provided by the publisher or from digital mathematics libraries. Its items are heuristically matched to zbMATH identifiers and may contain data conversion errors. In some cases that data have been complemented/enhanced by data from zbMATH Open. This attempts to reflect the references listed in the original paper as accurately as possible without claiming completeness or a perfect matching.