The Circuit Simulation Method Improved by Conjugate Gradient Method for Isomorphic Molecular Graph Identification
With the modeling of molecular graph, the Circuit Simulation Method proposed by us in our previous paper to solve the graph isomorphism identification problem can be further applied into the identification of isomorphic molecular graph. Based on this, the Conjugate Gradient Method is
introduced to further enhance the identification efficiency of the Circuit Simulation Method by speeding up the calculation of linear equations. Both theoretical analysis and practical tests demonstrate that the combination of the Circuit Simulation Method and the Conjugate Gradient Method
can improve the efficiency greatly compared with the original algorithm.
Keywords: CIRCUIT SIMULATION; CONJUGATE GRADIENT; ISOMORPHISM; MOLECULAR GRAPH
Document Type: Research Article
Publication date: 01 August 2013
- Bionanoscience attempts to harness various functions of biological macromolecules and integrate them with engineering for technological applications. It is based on a bottom-up approach and encompasses structural biology, biomacromolecular engineering, material science, and engineering, extending the horizon of material science. The journal aims at publication of (i) Letters (ii) Reviews (3) Concepts (4) Rapid communications (5) Research papers (6) Book reviews (7) Conference announcements in the interface between chemistry, physics, biology, material science, and technology. The use of biological macromolecules as sensors, biomaterials, information storage devices, biomolecular arrays, molecular machines is significantly increasing. The traditional disciplines of chemistry, physics, and biology are overlapping and coalescing with nanoscale science and technology. Currently research in this area is scattered in different journals and this journal seeks to bring them under a single umbrella to ensure highest quality peer-reviewed research for rapid dissemination in areas that are in the forefront of science and technology which is witnessing phenomenal and accelerated growth.
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