Automatic superposition of drug molecule
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Yuichi Kato; Atsushi Inoue; Miho Yamada; Nobuo Tomioka; Akiko Itai
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Article
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1992
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Springer Netherlands
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English
β 685 KB
We have previously developed a new rational method for superposing molecules in terms of submolecular physical and chemical properties, but not in terms of atom positions or chemical structures as has been done in the conventional methods. The program was originally developed for interactive use on