A classification of biochemical compounds based on their primitive structures and graph kernels

2020 ◽  
Author(s):  
Peemapat Wongsriphisant ◽  
Chidchanok Lursinsap ◽  
Apichat Suratanee ◽  
Kitiporn Plaimas
Keyword(s):  
Graph Kernels ◽  
Biochemical Compounds

A novel graph kernel on chemical compound classification

2018 ◽  
Vol 16 (06) ◽  
pp. 1850026
Author(s):  
Qiangrong Jiang ◽  
Jiajia Ma
Keyword(s):  
Machine Learning ◽  
Graph Theory ◽  
Kernel Methods ◽  
Good Choice ◽  
Graph Kernel ◽  
Graph Kernels ◽  
Machine Learning Methods ◽  
Compound Classification ◽  
Local Block

Considering the classification of compounds as a nonlinear problem, the use of kernel methods is a good choice. Graph kernels provide a nice framework combining machine learning methods with graph theory, whereas the essence of graph kernels is to compare the substructures of two graphs, how to extract the substructures is a question. In this paper, we propose a novel graph kernel based on matrix named the local block kernel, which can compare the similarity of partial substructures that contain any number of vertexes. The paper finally tests the efficacy of this novel graph kernel in comparison with a number of published mainstream methods and results with two datasets: NCI1 and NCI109 for the convenience of comparison.

scholarly journals A Property Testing Framework for the Theoretical Expressivity of Graph Kernels

2018 ◽  
Author(s):  
Nils M. Kriege ◽  
Christopher Morris ◽  
Anja Rey ◽  
Christian Sohler
Keyword(s):  
Nearest Neighbor ◽  
Experimental Studies ◽  
Expressive Power ◽  
Property Testing ◽  
Testing Framework ◽  
Graph Kernels ◽  
Graph Properties ◽  
Graph Property ◽  
Nearest Neighbor Classifiers

Graph kernels are applied heavily for the classification of structured data. However, their expressivity is assessed almost exclusively from experimental studies and there is no theoretical justification why one kernel is in general preferable over another. We introduce a theoretical framework for investigating the expressive power of graph kernels, which is inspired by concepts from the area of property testing. We introduce the notion of distinguishability of a graph property by a graph kernel. For several established graph kernels we show that they cannot distinguish essential graph properties. In order to overcome this, we consider a kernel based on k-disc frequencies. We show that this efficiently computable kernel can distinguish fundamental graph properties. Finally, we obtain learning guarantees for nearest neighbor classifiers in our framework.

Note on the spectral classification of carbon stars in the photographic infrared region

1966 ◽  
Vol 24 ◽  
pp. 21-23
Author(s):  
Y. Fujita
Keyword(s):  
Infrared Region ◽  
Spectral Classification ◽  
Carbon Stars

We have investigated the spectrograms (dispersion: 8Å/mm) in the photographic infrared region fromλ7500 toλ9000 of some carbon stars obtained by the coudé spectrograph of the 74-inch reflector attached to the Okayama Astrophysical Observatory. The names of the stars investigated are listed in Table 1.

Diagnostic Value of Electron Microscopy in Soft Tissue Tumors

1970 ◽  
Vol 28 ◽  
pp. 220-221
Author(s):  
Gerald Fine ◽  
Azorides R. Morales
Keyword(s):  
Cardiac Myxoma ◽  
Osteogenic Sarcoma ◽  
Diagnostic Value ◽  
Soft Tissue Tumors ◽  
Amelanotic Melanoma ◽  
Growth Patterns ◽  
Light Microscopic Level ◽  
Mesenchymal Tumors ◽  
Good Agreement

For years the separation of carcinoma and sarcoma and the subclassification of sarcomas has been based on the appearance of the tumor cells and their microscopic growth pattern and information derived from certain histochemical and special stains. Although this method of study has produced good agreement among pathologists in the separation of carcinoma from sarcoma, it has given less uniform results in the subclassification of sarcomas. There remain examples of neoplasms of different histogenesis, the classification of which is questionable because of similar cytologic and growth patterns at the light microscopic level; i.e. amelanotic melanoma versus carcinoma and occasionally sarcoma, sarcomas with an epithelial pattern of growth simulating carcinoma, histologically similar mesenchymal tumors of different histogenesis (histiocytoma versus rhabdomyosarcoma, lytic osteogenic sarcoma versus rhabdomyosarcoma), and myxomatous mesenchymal tumors of diverse histogenesis (myxoid rhabdo and liposarcomas, cardiac myxoma, myxoid neurofibroma, etc.)

Ultrastructure of mesotheliomas

1984 ◽  
Vol 42 ◽  
pp. 98-101
Author(s):  
Irving Dardick
Keyword(s):  
Electron Microscopy ◽  
Latent Period ◽  
Spindle Cell ◽  
Spindle Cell Sarcoma ◽  
Metastatic Adenocarcinoma ◽  
Cell Sarcoma ◽  
Cytological Features ◽  
Industrial Use ◽  
Degree Of Differentiation

With the extensive industrial use of asbestos in this century and the long latent period (20-50 years) between exposure and tumor presentation, the incidence of malignant mesothelioma is now increasing. Thus, surgical pathologists are more frequently faced with the dilemma of differentiating mesothelioma from metastatic adenocarcinoma and spindle-cell sarcoma involving serosal surfaces. Electron microscopy is amodality useful in clarifying this problem.In utilizing ultrastructural features in the diagnosis of mesothelioma, it is essential to appreciate that the classification of this tumor reflects a variety of morphologic forms of differing biologic behavior (Table 1). Furthermore, with the variable histology and degree of differentiation in mesotheliomas it might be expected that the ultrastructure of such tumors also reflects a range of cytological features. Such is the case.

Interpreting HVEM of muscle-cell impulse networks

1992 ◽  
Vol 50 (1) ◽  
pp. 126-127
Author(s):  
Paul DeCosta ◽  
Kyugon Cho ◽  
Stephen Shemlon ◽  
Heesung Jun ◽  
Stanley M. Dunn
Keyword(s):  
Structural Analysis ◽  
Muscle Cell ◽  
Electron Micrographs ◽  
Relative Size ◽  
Automatic Classification ◽  
Nerve Fibers ◽  
Analysis Algorithm ◽  
Structural Networks

Introduction: The analysis and interpretation of electron micrographs of cells and tissues, often requires the accurate extraction of structural networks, which either provide immediate 2D or 3D information, or from which the desired information can be inferred. The images of these structures contain lines and/or curves whose orientation, lengths, and intersections characterize the overall network.Some examples exist of studies that have been done in the analysis of networks of natural structures. In, Sebok and Roemer determine the complexity of nerve structures in an EM formed slide. Here the number of nodes that exist in the image describes how dense nerve fibers are in a particular region of the skin. Hildith proposes a network structural analysis algorithm for the automatic classification of chromosome spreads (type, relative size and orientation).

Dual stain kit for the microscopic gram classification of ocular infection bacteria

1993 ◽  
Vol 51 ◽  
pp. 248-249
Author(s):  
Jacob S. Hanker ◽  
Dale N. Holdren ◽  
Kenneth L. Cohen ◽  
Beverly L. Giammara
Keyword(s):  
Contact Lenses ◽  
Ocular Infection ◽  
Gram Negative Bacteria ◽  
Gram Negative ◽  
Gram Staining ◽  
Ocular Infections ◽  
Different Types ◽  
Culture Positive ◽  
Increased Susceptibility

Keratitis and conjunctivitis (infections of the cornea or conjunctiva) are ocular infections caused by various bacteria, fungi, viruses or parasites; bacteria, however, are usually prominent. Systemic conditions such as alcoholism, diabetes, debilitating disease, AIDS and immunosuppressive therapy can lead to increased susceptibility but trauma and contact lens use are very important factors. Gram-negative bacteria are most frequently cultured in these situations and Pseudomonas aeruginosa is most usually isolated from culture-positive ulcers of patients using contact lenses. Smears for staining can be obtained with a special swab or spatula and Gram staining frequently guides choice of a therapeutic rinse prior to the report of the culture results upon which specific antibiotic therapy is based. In some cases staining of the direct smear may be diagnostic in situations where the culture will not grow. In these cases different types of stains occasionally assist in guiding therapy.

Ultrastructural Classification of Pituary Adenomas

1990 ◽  
Vol 48 (3) ◽  
pp. 258-258
Author(s):  
S. Arumugam ◽  
Sarasa Bharati Arumugam
Keyword(s):  
Cytoplasmic Organelle ◽  
Null Cell ◽  
Cell Adenoma ◽  
Mixed Cell ◽  
Light Microscope Level ◽  
Null Cell Adenoma ◽  
Growth Hormone Cell ◽  
Ultrastructural Characteristics ◽  
Organelle Morphology

Adenoaas of the pituitary are no longer classified based on their tinctorial affinity to dyes. With the advent of the newer methods of sophisticated technology, it is now possible to classify. These depending upon the type of hormone secreted based either on histochemical techniques or on ultrastructural characteristics. The latter provides an insight into the cytoplasmic organelle morphology which offers a delightful feast to the eye as well.This paper presents the ultrastructural characters of the pituitary adenoma as seen in Madras. 171 adenomas (124 males and 47 females) were seen during 1972-1989, classified at the light microscope level as 159 chromophobe, 2 basophilic, 4 eosinophilic and 6 mixed adenomas.Ultrastructural examination showed that the sparsely granular prolactin cell adenoma is the commonest adenoma to be encountered closely followed by the growth hormone cell adenoma, null cell adenoma, the mixed cell adenoma and others.

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