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HORACE: An automatic system for the hierarchical classification of chemical reactions
Development of a new data format to allow the study of structural diversity and ligand behavior in transition metal coordination complexes retrieved from the Cambridge Structural Database
Flexible 3D searching: The directed tweak technique
CD-ROM chemical databases: The influence of data structure and graphical user interfaces on information access
Rule induction for systems predicting biological activity
Far beyond the structure diagram. Increasing the dimensionality of chemical information retrieval: structure .fwdarw. transport .fwdarw. transformation .fwdarw. energetics .fwdarw. logic and control [networks]
Identification of .beta.-sheet motifs, of .psi.-loops, and of patterns of amino acid residues in three-dimensional protein structures using a subgraph-isomorphism algorithm
The Beilstein Information System is not a reaction database, or is it?
Context description in synthesis planning
Structure-activity relationships for skin sensitization potential: Development of structural alerts for use in knowledge-based toxicity prediction systems
Conformational searching in ISIS/3D databases
Third International Conference on Chemical Structures
Models, concepts, theories, and formal languages in chemistry and their use as a basis for computer assistance in chemistry
Matching two-dimensional chemical graphs using genetic algorithms
A systematic method for using structural and numeric databases to choose compounds of potentially high nonlinear optical susceptibility
Computation and management of chemical properties in CACTVS: An extensible networked approach toward modularity and compatibility
SPROUT: Recent developments in the de novo design of molecules
Evaluation of the screening stages of the Sheffield Research Project on Computer Storage and Retrieval of Generic Chemical Structures in Patents
Similarity searching on CAS Registry substances. 2. 2D structural similarity
Structure-property relationship in sweeteners
Similarity searching in files of three-dimensional chemical structures: Comparison of fragment-based measures of shape similarity
Employment of fuzzy information derived from spectroscopic data toward reducing the redundancy in the process of structure generation
New molecular modeling tools using three-dimensional chemical substructures
The chemical sample: A fundamental object for molecular modeling
Automatic extraction of ring substructures from a chemical structure
Hyperstructure model for chemical structure handling: Techniques for substructure searching
Coarctate transition states: the discovery of a reaction principle
Pharmacophoric pattern matching in files of three-dimensional chemical structures: Comparison of conformational-searching algorithms for flexible searching
Lilith: From childhood to adolescence
Similarity searching in files of three-dimensional chemical structures. Implementation of atom mapping on the distributed array processor DAP-610, the MasPar MP-1104, and the connection machine CM-200
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