e-LEA3D: ChemInformatic Tools and Databases
 


I) Direct downloads:

II) Registration form to download the program LEA3D and/or the FDA approved drugs sdf file:
Regarding the drugs sdf file, you can alternatively download it by registering or if you are already registered log in.

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Please complete the following registration form and click the "submit" button. It will send your request directly to the author.

We require this information in order to keep track of numbers of unique downloads, which we use to support grant applications.


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.



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