VGU RESEARCH REPOSITORY
Please use this identifier to cite or link to this item:
https://epub.vgu.edu.vn/handle/dlibvgu/993
Title: | Analyzing and visualizing chemical molecular properties using K-dimension tree algorithm | Authors: | Nguyen Truong Thanh Hung | Keywords: | K-Dimension tree;Lazy learning classification algorithm | Issue Date: | 2020 | Abstract: | The last few years have produced a remarkable expansion of research in machine learning. The field has gained unprecedented popularity, several new areas have developed, and some previously established areas have gained new momentum. Nowadays, machine learning algorithms are intensively applied in natural sciences fields, such as chemistry, biology, ecology, earth science. Molecular interactions play a significant role in various fields, such as material science, sensors, nanotechnology, and more. The chemical molecular property always needs a proper way of visualization to provide a direct view of its structure. However, analyzing chemical datasets is a challenging task for scientific researchers in the field of chemoinformatic. It is crucial yet difficult to understand the relationship between the structure of chemical compounds. K Nearest-neighbour Classification (KNN) is a lazy learning classification algorithm. KNN tends to search the nearest neighbours for a target in the entire training set. Hence, the prediction step of KNN is quite time-consuming. While, KDimension tree (K-D tree) algorithm is a multi-dimensional binary tree, which is a specific storage structure for efficiently representing training data. To that respect, in this bachelor’s thesis, I conduct a method to process a raw labelled dataset of the molecular properties and visualize them using the K-D tree algorithm |
URI(1): | http://epub.vgu.edu.vn/handle/dlibvgu/993 |
Appears in Collections: | Computer Science (CS) |
Files in This Item:
File | Description | Size | Format | Existing users please Login |
---|---|---|---|---|
Analyzing and visualizing chemical molecular properties using K-Dimension tree algorithm.pdf | 2.15 MB | Adobe PDF |
Page view(s)
135
checked on Apr 23, 2024
Download(s)
75
checked on Apr 23, 2024
Google ScholarTM
Check
Items are protected by © Copyright of Vietnamese - German University Library