Biomedical subjects

Satoshi Fujishima

Publications and source records attributed to Satoshi Fujishima.

2 recordsLinked to original sources

PubMed2003

MolSpace: a computer desktop tool for visualization of massive molecular data.

The authors have developed a software tool, MolSpace, to visualize massive molecular datasets. MolSpace can project a set of massive multivariate data onto a visual space (two- or three-dimensional space) by means of principal component analysis. MolSpace allows users not only to draw a scatter diagram of the data but also to display their two- or three-dimensional molecular structures as the objects in that space. With a probe (a molecular object) the user can navigate vast data spaces, thus facilitating understanding of the data structure. In addition, partial space searching is also available that is based on similarity searching techniques. It is possible to interrogate a three-dimensional structure of a chemical compound that corresponds to each object on the space in real time. The detail of the system is discussed with an illustrative example.

Apomorphine↗

PubMedDate not supplied

Classification of dopamine antagonists using TFS-based artificial neural network.

In the former work, the authors proposed the Topological Fragment Spectral (TFS) method as a tool for the description of the topological structure profile of a molecule. This paper describes the TFS-based artificial neural network (TFS/ANN) approach for the classification and the prediction of pharmacological active classes of chemicals. Dopamine antagonists of 1227 that interact with different types of receptors (D1, D2, D3, and D4) were used for the training. The TFS/ANN successfully classified 89% of the drugs into their own active classes. Then, the trained model was used for predicting the class of unknown compounds. For the prediction set of 137 drugs that were not included in the training set, the TFS/ANN model predicted 111 (81%) drugs of them into their own active classes correctly.

Dopamine Antagonists↗