Descriptor Selection Methods in Quantitative Structure-Activity Relationship Studies: A Review Study

被引：169
作者：
Shahlaei, Mohsen [1 ,2 ]
机构：
[1] Med Sci Kermanshah Univ, Sch Pharm, Dept Med Chem, Kermanshah 8174673461, Iran
[2] Med Sci Kermanshah Univ, Sch Pharm, Novel Drug Delivery Res Ctr, Kermanshah 8174673461, Iran
来源：
CHEMICAL REVIEWS | 2013年 / 113卷 / 10期
关键词：
PARTICLE SWARM OPTIMIZATION; SUCCESSIVE PROJECTIONS ALGORITHM; ANT COLONY OPTIMIZATION; NORMAL BOILING POINTS; K-NEAREST-NEIGHBOR; VARIABLE SELECTION; GENETIC ALGORITHM; NEURAL-NETWORKS; QSAR ANALYSIS; BIOLOGICAL-ACTIVITY;
D O I：
10.1021/cr3004339
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
[No abstract available]
引用
收藏
页码：8093 / 8103
页数：11
相关论文
共 72 条
[1]   Stochastic algorithms for maximizing molecular diversity [J].
Agrafiotis, DK .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1997, 37 (05) :841-851
[2]  
[Anonymous], 2004, ANT COLONY OPTIMIZAT
[3]   The successive projections algorithm for variable selection in spectroscopic multicomponent analysis [J].
Araújo, MCU ;
Saldanha, TCB ;
Galvao, RKH ;
Yoneyama, T ;
Chame, HC ;
Visani, V .
CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS, 2001, 57 (02) :65-73
[4]  
Atkinson Anthony Curtes, 1985, Plots, transformations and regression
[5]  
an introduction to graphical methods of diagnostic regression analysis
[6]  
Burden Frank, 2008, V458, P25
[7]   Variable selection using neural-network models [J].
Castellano, G ;
Fanelli, AM .
NEUROCOMPUTING, 2000, 31 (1-4) :1-13
[8]   Using particle swarms for the development of QSAR models based on K-nearest neighbor and kernel regression [J].
Cedeño, W ;
Agrafiotis, DK .
JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN, 2003, 17 (02) :255-263
[9]   Improving QSAR models for the biological activity of HIV Reverse Transcriptase inhibitors: Aspects of outlier detection and uninformative variable elimination [J].
Daszykowski, M ;
Stanimirova, I ;
Walczak, B ;
Daeyaert, F ;
de Jonge, MR ;
Heeres, J ;
Koymans, LMH ;
Lewi, PJ ;
Vinkers, HM ;
Janssen, PA ;
Massart, DL .
TALANTA, 2005, 68 (01) :54-60
[10]  
DUCH W, 2006, FEATURE EXTRACTION F, V207
12345678