Self-Organizing Maps for In Silico Screening and Data Visualization

被引：21

作者：

Digles, Daniela ^{[1
]}

Ecker, Gerhard F. ^{[1
]}

机构：

[1] Univ Vienna, Dept Med Chem, A-1090 Vienna, Austria

来源：

MOLECULAR INFORMATICS | 2011年 / 30卷 / 10期

关键词：

Self-organizing maps; Kohonen maps; Virtual screening; Chemoinformatics; Computational chemistry; DRUG DISCOVERY; NEURAL-NETWORKS; CLASSIFICATION; INHIBITORS; IDENTIFICATION; PREDICTION; QSAR; DESCRIPTORS; EXPLORATION; UNIVERSE;

D O I：

10.1002/minf.201100082

中图分类号：

R914 [药物化学];

学科分类号：

100701 ;

摘要：

Self-organizing maps, which are unsupervised artificial neural networks, have become a very useful tool in a wide area of disciplines, including medicinal chemistry. Here, we will focus on two applications of self-organizing maps: the use of self-organizing maps for in silico screening and for clustering and visualisation of large datasets. Additionally, the importance of parameter selection is discussed and some modifications to the original algorithm are summarised.

引用

页码：838 / 846

页数：9

共 50 条

[31] Exploring forensic data with self-organizing maps
Fei, B
Eloff, J
Venter, H
Olivier, M
ADVANCES IN DIGITAL FORENSICS, 2006, 194 : 113 - +
[32] Mining informetric data with self-organizing maps
Sotolongo-Aguilar, G
Guzmán-Sánchez, MV
Saavedra-Fernández, O
Carrillo-Calvet, HA
8TH INTERNATIONAL CONFERENCE ON SCIENTOMETRICS AND INFORMETRICS, VOLS 1 AND 2 - ISSI-2001, PROCEEDINGS, 2001, : 665 - 673
[33] An extension of self-organizing maps to categorical data
Chen, N
Marques, NC
PROGRESS IN ARTIFICIAL INTELLIGENCE, PROCEEDINGS, 2005, 3808 : 304 - 313
[34] Self-Organizing Maps
Matera, F
SUBSTANCE USE & MISUSE, 1998, 33 (02) : 365 - 381
[35] Improving cluster visualization in self-organizing maps: Application in gene expression data analysis
Fernandez, Elmer A.
Balzarini, Monica
COMPUTERS IN BIOLOGY AND MEDICINE, 2007, 37 (12) : 1677 - 1689
[36] Scientific data visualization using three-dimensional self-organizing feature maps
Knopf, GK
Sangole, A
2001 IEEE INTERNATIONAL CONFERENCE ON SYSTEMS, MAN, AND CYBERNETICS, VOLS 1-5: E-SYSTEMS AND E-MAN FOR CYBERNETICS IN CYBERSPACE, 2002, : 759 - 764
[37] Improvements on the visualization of clusters in geo-referenced data using Self-Organizing Maps
Gorricha, Jorge
Lobo, Victor
COMPUTERS & GEOSCIENCES, 2012, 43 : 177 - 186
[38] Topology Preserving Visualization Methods for Growing Self-Organizing Maps
Delgado, Soledad
Gonzalo, Consuelo
Martinez, Estibaliz
Arquero, Agueda
BIO-INSPIRED SYSTEMS: COMPUTATIONAL AND AMBIENT INTELLIGENCE, PT 1, 2009, 5517 : 196 - +
[39] Deep Architectures for Joint Clustering and Visualization with Self-organizing Maps
Forest, Florent
Lebbah, Mustapha
Azzag, Hanane
Lacaille, Jerome
TRENDS AND APPLICATIONS IN KNOWLEDGE DISCOVERY AND DATA MINING: PAKDD 2019 WORKSHOPS, 2019, 11607 : 105 - 116
[40] Visualization of fluid-bed granulation with self-organizing maps
Rantanen, JT
Laine, SJ
Antikainen, OK
Mannermaa, JP
Simula, OE
Yliruusi, JK
JOURNAL OF PHARMACEUTICAL AND BIOMEDICAL ANALYSIS, 2001, 24 (03) : 343 - 352

← 1 2 3 4 5 →