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Automatic generation of alignments for 3D QSAR analyses

โœ Scribed by Nicholas E. Jewell; David B. Turner; Peter Willett; Graham J. Sexton


Book ID
108488182
Publisher
Elsevier Science
Year
2001
Tongue
English
Weight
570 KB
Volume
20
Category
Article
ISSN
1093-3263

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Automatic generation of 3D-atomic coordi
โœ J. Gasteiger; C. Rudolph; J. Sadowski ๐Ÿ“‚ Article ๐Ÿ“… 1990 ๐Ÿ› Elsevier Science โš– 598 KB

A system has been developed that can automatically generate three-dimensional atomic coordinates from the constitution of a molecule as expressed by a connection table. The program, CORINA, is applicable to the entire range of organic chemistry. It can also handle structures that are beyond the scop