计算机科学 ›› 2022, Vol. 49 ›› Issue (5): 113-119.doi: 10.11896/jsjkx.210700131
所属专题: 大数据&数据科学 虚拟专题
朱哲清1,3, 耿海军1,3, 钱宇华1,2,3
ZHU Zhe-qing1,3, GENG Hai-jun1,3, QIAN Yu-hua1,2,3
摘要: 化学键识别是化学结构识别任务的重要组成部分。化学键中的单键、双键和三键都是由线段组成的,采用霍夫变换进行线段检测时容易产生冗余数据和干扰数据。为此,提出了一种面向化学键的线段聚类算法,对霍夫变换检出的线段进行聚类,进而合并冗余线段。具体而言,基于线段间空间关系的分析,定义线段间的相对相似性与间隔相似性度量;利用这两种度量,进行基于线段合并的聚类方法。实验结果表明,所提出的相似性度量可以全面地刻画线段间的相似关系;该算法能获得较好的聚类结果,同时能够准确复原化学键组成线段的真实位置,是一种有效的化学结构图像预处理方法。
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[1]QUIRÓS M,GRAULIS S,GIRDZIJAUSKAITÉ S,et al.Using SMILES strings for the description of chemical connecti-vity in the Crystallography Open Database[J].Journal of Cheminformatics,2018,10(1):1-17. [2]MEMON J,SAMI M,KHAN R A,et al.Handwritten optical character recognition (OCR):A comprehensive systematic lite-rature review(SLR)[J].IEEE Access,2020,8:142642-142668. [3]CASEY R,BOYER S,HEALEY P,et al.Optical recognition of chemical graphics[C]//Proceedings of 2nd International Confe-rence on Document Analysis and Recognition (ICDAR’93).IEEE,1993:627-631. [4]PARK J,ROSANIA G R,SHEDDEN K A,et al.Automated extraction of chemical structure information from digital raster images[J].Chemistry Central Journal,2009,3(1):1-16. [5]RAJAN K,ZIELESNY A,STEINBECK C.DECIMER:towards deep learning for chemical image recognition[J].Journal of Cheminformatics,2020,12(1):1-9. [6]LIANG X,GUO Q,QIAN Y,et al.Evolutionary deep fusionmethod and its application in chemical structure recognition[J].IEEE Transactions on Evolutionary Computation,2021,25(5):883-893. [7]OLDENHOF M,ARANY A,MOREAU Y,et al.ChemGra-pher:optical graph recognition of chemical compounds by deep learning[J].Journal of Chemical Information and Modeling,2020,60(10):4506-4517. [8]STEPHENS R S.Probabilistic approach to the Hough trans-form[J].Image & Vision Computing,1990,9(1):66-71. [9]GIOI R,JAKUBOWICZ J,MOREL J M,et al.LSD:A Fast Line Segment Detector with a False Detection Control[J].IEEE Transactions on Pattern Analysis & Machine Intelligence,2010,32(4):722-732. [10]LEE J G,HAN J,WHANG K Y.Trajectory clustering:a partition-and-group framework[C]//Proceedings of the 2007 ACM SIGMOD International Conference on Management of Data.2007:593-604. [11]EL BAHI H,ZATNI A.Document text detection in videoframes acquired by a smartphone based on line segment detector and dbscan clustering[J].Journal of Engineering Science and Technology,2018,13(2):540-557. [12]LEE S,HYEON D,PARK G,et al.Directional-DBSCAN:Par-king-slot detection using a clustering method in around-view monitoring system[C]//2016 IEEE Intelligent Vehicles Symposium (IV).IEEE,2016:349-354. [13]WANG W,XIA F,NIE H,et al.Vehicle trajectory clusteringbased on dynamic representation learning of internet of vehicles[J].IEEE Transactions on Intelligent Transportation Systems,2020,22(6):3567-3576. [14]LIU B,LIU H Z.Lane Detection Algorithm Based on Improved Enet Network[J].Computer Science,2020,47(4):142-149. [15]LUO J N,ZHANG J M.Rail Area Extraction Using Extended Haar-like Features and DBSCAN Clustering[J].Computer Science,2020,47(6A):153-156. [16]LI X,LI J,MU T.A Local Map Construction Method for SLAM Problem Based on DBSCAN Clustering Algorithm[C]//International Conference on Bio-Inspired Computing:Theories and Applications.Springer:Singapore,2019:540-549. [17]CHEN J Y,GUO Z J,YIN Y K.Full Traversal Path Planning and System Design of Intelligent Lawn Mower Based on Hybrid Algorithm[J].Computer Science,2021,48(6A):633-637. [18]BLUM L C,REYMOND J L.970 million druglike small molecules for virtual screening in the chemical universe database GDB-13[J].Journal of the American Chemical Society,2009,131(25):8732-8733. [19]PROBST D,REYMOND J L.SmilesDrawer:parsing and dra-wing SMILES-encoded molecular structures using client-side JavaScript[J].Journal of Chemical Information and Modeling,2018,58(1):1-7. |
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