Solved and Unsolved Problems of Chemoinformatics

被引:7
|
作者
Gasteiger, Johann [1 ]
机构
[1] Univ Erlangen Nurnberg, Comp Chem Ctr, D-91052 Erlangen, Germany
关键词
CASD; CASE; QSAR; QSPR; REACH; Databases;
D O I
10.1002/minf.201400068
中图分类号
R914 [药物化学];
学科分类号
100701 ;
摘要
From humble beginnings in the Sixties chemoinformatics evolved into a scientific field of its own. Without the achievements of chemoinformatics the flood of information in chemistry would simply not be manageable and modern research in chemistry and related fields would be inconceivable. However, there are still a host of problems waiting for solutions to be found or to be improved. The impact of chemicals on human health and on the environment presents both challenges and concerns. Research in chemoinformatics could help in better understanding these topics and thus contribute to a better living.
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页码:454 / 457
页数:4
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