Automatic extraction of ring substructures from a chemical structureTAKAHASHI, Y.Journal of chemical information and computer sciences. 1994, Vol 34, Num 1, pp 167-170, issn 0095-2338Conference Paper

Bonds fixed by fixing bondsHANSEN, P; ZHENG, M.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 297-304, issn 0095-2338Conference Paper

Calculating the cell polynomial of catacondensed polycyclic hydrocarbonsJOHN, P. E.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 357-360, issn 0095-2338Conference Paper

Enumeration, coding, and complexity of linear reaction mechanismsGORDEEVA, E; BONCHEV, D; KAMENSKI, D et al.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 436-445, issn 0095-2338Conference Paper

Flexible 3D searching: the directed tweak techniqueHURST, T.Journal of chemical information and computer sciences. 1994, Vol 34, Num 1, pp 190-196, issn 0095-2338Conference Paper

Graphical bond orders: novel structural descriptorsRANDIC, M; MIHALIC, Z; NIKOLIC, S et al.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 403-409, issn 0095-2338Conference Paper

Orismology (the science of defining words) and the geometrical foundations of chemistry. II: Inherent topologyELK, S. B.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 325-330, issn 0095-2338Conference Paper

Rigourous deduction theory for assignment of multidimensional NMR spectra using the independent spin coupling network approachJUN XU; BORER, P. N.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 349-356, issn 0095-2338Conference Paper

SPROUT: recent developments in the de novo design of moleculesGILLET, V. J; NEWELL, W; MATA, P et al.Journal of chemical information and computer sciences. 1994, Vol 34, Num 1, pp 207-217, issn 0095-2338Conference Paper

Structure generation from a gross formula. VII: Graph isomorphism: a consequence of the vertex equivalenceBANGOV, I. P.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 318-324, issn 0095-2338Conference Paper

Weights on edges of chemical graphs determined by pathsPISANSKI, T; ZEROVNIK, J.Journal of chemical information and computer sciences. 1994, Vol 34, Num 2, pp 395-397, issn 0095-2338Conference Paper

Identification of β-sheet motifs, of ψ-loops, and of patterns of amino acid residues in three-dimensional protein structures using a subgraph-isomorphism algorithmARTYMIUK, P. J; GRINDLEY, H. M; POIRRETTE, A. R et al.Journal of chemical information and computer sciences. 1994, Vol 34, Num 1, pp 54-62, issn 0095-2338Conference Paper

Computer storage and retrieval of generic chemical structures in patents. XV: Generation of topological fragment descriptors from nontopological representations of generic structure componentsHOLLIDAY, J. D; DOWNS, G. M; GILLET, V. J et al.Journal of chemical information and computer sciences. 1993, Vol 33, Num 3, pp 369-377, issn 0095-2338Article

FATE, the environmental fate constants information databaseKOLLIG, H. P; KITCHENS, B. E; HAMRICK, K. J et al.Journal of chemical information and computer sciences. 1993, Vol 33, Num 1, pp 131-134, issn 0095-2338Article

Generative graphs and representation by induction of orders: the RIO general model of EURECASATTIAS, R.Journal of chemical information and computer sciences. 1993, Vol 33, Num 3, pp 415-420, issn 0095-2338Article

Numerical databases on materials property data at CINDAS/Purdue UniversityHO, C. Y; LI, H. H.Journal of chemical information and computer sciences. 1993, Vol 33, Num 1, pp 36-45, issn 0095-2338Article

Applications of degree distribution. II: Construction and enumeration of isomers in the alkane seriesJACKSON, M. D; BIEBER, T. I.Journal of chemical information and computer sciences. 1993, Vol 33, Num 5, pp 701-708, issn 0095-2338Article

Evaluation of neural networks based on radial basis functions and their application to the prediction of boiling points from structural parametersLOHNINGER, H.Journal of chemical information and computer sciences. 1993, Vol 33, Num 5, pp 736-744, issn 0095-2338Article

Modeling crystal structures by numerical methods: a tool for practical structure analysisLINERT, W; RENZ, F.Journal of chemical information and computer sciences. 1993, Vol 33, Num 5, pp 776-781, issn 0095-2338Article

Predicting phosphorus NMR shifts using neural networksWEST, G. M. J.Journal of chemical information and computer sciences. 1993, Vol 33, Num 4, pp 577-589, issn 0095-2338Article

Structural studies of the role of the active site metal in metalloenzymesFEINBERG, H; GREENBLATT, H. M; SHOHAM, G et al.Journal of chemical information and computer sciences. 1993, Vol 33, Num 3, pp 501-516, issn 0095-2338Article

Structure-activity relationships on pesticides: a development in methodology and its software systemJIAJU ZHOU; QIAN XIE; DUNMING SUN et al.Journal of chemical information and computer sciences. 1993, Vol 33, Num 3, pp 310-319, issn 0095-2338Conference Paper

Substructure searching methods: old and newBARNARD, J. M.Journal of chemical information and computer sciences. 1993, Vol 33, Num 4, pp 532-538, issn 0095-2338Conference Paper

Chemical information activities: what the future holdsHELLER, S. R.Journal of chemical information and computer sciences. 1993, Vol 33, Num 3, pp 284-291, issn 0095-2338Conference Paper

Applications of the radius-diameter diagram to the classification of topogical and geometrical shapes of chemical compoundsPETITJEAN, M.Journal of chemical information and computer sciences. 1992, Vol 32, Num 4, pp 331-337, issn 0095-2338Article