Correlation studies of HEPT derivatives using swarm intelligence and support vector machines

被引：13

作者：

Lawtrakul, L

Prakasvudhisarn, C

机构：

[1] Thammasat Univ, SIIT, Dept Common & Grad Studies, Pathum Thani 12121, Thailand

[2] Thammasat Univ, SIIT, Sch Mfg Syst & Mech Engn, Pathum Thani 12121, Thailand

来源：

MONATSHEFTE FUR CHEMIE | 2005年 / 136卷 / 09期

关键词：

particle swarm optimization; support vector machine; HIV-1 reverse transcriptase; QSAR;

D O I：

10.1007/s00706-005-0357-0

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Two novel algorithms based on particle swarm optimization (PSO) and support vector machine (SVM) have been employed to obtain predictive QSAR models of anti-FHV-1 activity of HEPT derivatives. The results obtained by using the adopted PSO and SVM for structure-activity correlation determination were in close agreement with previous multiple linear regression models, which are reasonably satisfying, based on both statistical significance and predictive ability.

引用

页码：1681 / 1691

页数：11

共 35 条

[1] Feature selection for structure-activity correlation using binary particle swarms
Agrafiotis, DK
Cedeño, W
[J]. JOURNAL OF MEDICINAL CHEMISTRY, 2002, 45 (05) : 1098 - 1107
[2] [Anonymous], 2001, NV2TR1998030 MATH WO
[3] Protein function classification via support vector machine approach
Cai, CZ
Wang, WL
Sun, LZ
Chen, YZ
[J]. MATHEMATICAL BIOSCIENCES, 2003, 185 (02) : 111 - 122
[4] Improving the fermentation medium for Echinocandin B production part II:: Particle swarm optimization
Cockshott, AR
Hartman, BE
[J]. PROCESS BIOCHEMISTRY, 2001, 36 (07) : 661 - 669
[5] The role of non-nucleoside reverse transcriptase inhibitors (NNRTIs) in the therapy of HIV-1 infection
De Clercq, E
[J]. ANTIVIRAL RESEARCH, 1998, 38 (03) : 153 - 179
[6] Multi-class protein fold recognition using support vector machines and neural networks
Ding, CHQ
Dubchak, I
[J]. BIOINFORMATICS, 2001, 17 (04) : 349 - 358
[7] Neural networks: Accurate nonlinear QSAR model for HEPT derivatives
Douali, L
Villemin, D
Cherqaoui, D
[J]. JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 2003, 43 (04): : 1200 - 1207
[8] Drucker H, 1997, ADV NEUR IN, V9, P155
[9] Eberhart R, 1995, MHS 95 P 6 INT S MIC, P39, DOI DOI 10.1109/MHS.1995.494215
[10] Eberhart RC, 2001, IEEE C EVOL COMPUTAT, P81, DOI 10.1109/CEC.2001.934374

← 1 2 3 4 →