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Drugs sdf file (07-19-2016: 1822 drug structures ; one 3D conformer ; ionization of carboxylic acid, phosphate, phosphonate, phosphonoamide, amidinium and guanidinium groups)
LEA3D program (on Linux)
LEA3D is a suite of automated de novo
drug design programs. It is designed to create new molecules by using a library of molecular fragments and by determining best combinations of molecular fragments that fit predefined physicochemical constraints also called functions.
LEA3D is a free program available for an academic use only. The perl scripts source code is provided so that people can modify it and adapt it to their own applications. It has been developped on Linux system.