PASS: prediction of activity spectra for biologically active substances

被引:723
作者
Lagunin, A [1 ]
Stepanchikova, A [1 ]
Filimonov, D [1 ]
Poroikov, V [1 ]
机构
[1] Russian Acad Med Sci, Lab Struct Funct Based Drug Design, Inst Biomed Chem, Moscow 119832, Russia
关键词
D O I
10.1093/bioinformatics/16.8.747
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
The concept of the biological activity spectrum was introduced to describe the properties of biologically active substances. The PASS (prediction of activity spectra for substances) software product, which predicts more than 300 pharmacological effects and biochemical mechanisms on the basis of the structural formula of a substance, may be efficiently used to find new targets (mechanisms) for some ligands and, conversely, to reveal new ligand's for some biological targets. We have developed a WWW interface for the PASS software. A WWW server for the on-line prediction of the biological activity spectra of substances has been constructed.
引用
收藏
页码:747 / 748
页数:2
相关论文
共 2 条
[1]   Chemical similarity assessment through multilevel neighborhoods of atoms: definition and comparison with the other descriptors [J].
Filimonov, D ;
Poroikov, V ;
Borodina, Y ;
Gloriozova, T .
JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES, 1999, 39 (04) :666-670
[2]  
FILIMONOV D, 1996, PASS COMPUTERIZED PR, P47