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PRODRG, a program for generating molecular topologies and unique molecular descriptors from coordinates of small molecules

Daan M. F. van AaltenDepartment of Biochemistry and Molecular Biology, University of Leeds, UKR. P. BywaterBiostructure Department, NOVO NORDISK A/S, DK-2880, Bagsvaerd, DenmarkJ. B. C. FindlayDepartment of Biochemistry and Molecular Biology, University of Leeds, LS2 9JT, Leeds, UKManfred HendlichPreclinical Research/Drug Design, Merck KGaA, D-64271, Darmstadt, GermanyRob HooftBiocomputing, EMBL, Meyerhofstrasse 1, D-69117, Heidelberg, GermanyGert VriendBiocomputing, EMBL, Meyerhofstrasse 1, D-69117, Heidelberg, Germany

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DOI: 10.1007/bf00355047

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