Mixed Heuristic Search for Sketch Prediction on Chemical Structure Drawing
Loading...
Date
2014
Authors
Journal Title
Journal ISSN
Volume Title
Publisher
ACM
Abstract
Sketching is a natural way to input chemical structures that can be used to query information from a large chemical structure database. Based on a user's incomplete sketch of a chemical structure, sketch prediction becomes a challenging problem not only due to arbitrary drawings orders among users but also similarities among chemical structure layouts. In this paper, we present a graph-based approach to handle the sketch prediction problem. We use multisets as the data representation of hand-drawn chemical structures and create an undirected graph to handle data in all multisets. This approach transforms the sketch prediction problem into a search problem to find a hamiltonian path in the corresponding sub-graph with polynomial time complexity. We introduce mixed heuristics to guide the search procedure. Through an initial experiment on a hand-drawn chemical structure dataset, we demonstrate that in comparison with a baseline method, the proposed approach improves the prediction accuracy and efficiently predicts chemical structures from only partially sketched drawings.
Description
@inproceedings{10.1145:2630407.2630408,
booktitle = {Sketch Based Interfaces and Modeling},
editor = {Metin Sezgin},
title = {{Mixed Heuristic Search for Sketch Prediction on Chemical Structure Drawing}},
author = {Kang, Bo and Hu, Hao and LaViola, Joseph J.},
year = {2014},
publisher = {ACM},
ISSN = {1812-3503},
ISBN = {978-1-4503-3018-34},
DOI = {10.1145/2630407.2630408}
}