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Computer‐aided design of new organic transformations: exposition of the ARGENT‐1 program
Author(s) -
Molchanova Marina S.,
Tratch Serge S.,
Zefirov Nikolai S.
Publication year - 2003
Publication title -
journal of physical organic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.325
H-Index - 66
eISSN - 1099-1395
pISSN - 0894-3230
DOI - 10.1002/poc.609
Subject(s) - chemistry , exposition (narrative) , selection (genetic algorithm) , process (computing) , computer aided , biochemical engineering , computer science , engineering , artificial intelligence , programming language , art , literature
The principles and distinctive features of ARGENT, a new software series aimed at a systematic search for novel types of organic interconversions, are described; its advantages in comparison with other reaction design programs are mentioned. The selection criteria used at different stages of the generation process are considered. Several interesting reactions proposed using ARGENT‐1, the first program of the ARGENT series, are discussed. Prospects for the further development of ARGENT are outlined. Copyright © 2003 John Wiley & Sons, Ltd.