From pharmacophore to leads: Bioactive compound discovery via computer-aided techniques

Chinese Journal of Chemistry

Volumn 17, Issue 3, 1999, Pages 237-243

  Yuan, Shen Gang ^a   Luo, Shi Wei ^a   Chai, Ge Qing ^a   Yao, Jian Hua ^a   Chen, Hai Feng ^a   Zheng, Chong Zhi ^a  

^a NONE

Author keywords

Computer aided technique; Drug design; Green chemistry; Synthetic design

Indexed keywords

EID: 0004712576     PISSN: 1001604X     EISSN: None     Source Type: Journal    
DOI: 10.1002/cjoc.19990170306     Document Type: Article

References (7)

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4. Sheridan, R.P.; Rusinko, III A.; Nilakantan, R.; Venkataraghavan, R., Proc. Natl. Acad. Sci., 86, 8165 (1989).
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7. PC-Search, CD-React and STS are three PC program bought from InfoChem Company in German. PC-Search is a reaction search software, containing nearly 46,000 core reaction types of organic chemistry and allowing for sophisticated molecule and/or reaction substructure searches. CD-React is used in combination with PC-search: after a structure search by using PC-Search retrieving one or more reaction types all other examples known for the same reaction type or all reactions published in the same article can be displayed by CD-React. STS (Synthesis Tree Search) is a PC program to retrieve preparations and reactions for given target molecules contained in the InfoChem reaction database, which refer to 2.5 million chemical reactions published between 1975 and 1991.