Question

Adme-Tox Open Source Tool

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13.3 years ago

Anuraj Nayarisseri ▴ 750

Hello Guys,

I am working on some CETP Inhibitors compounds like 2-arylbenzoxazole - I wish to calculate the ADME. Is there any one open source or free software/Algorithms to determine ADME -Tox.

ADME open-source • 4.2k views

ADD COMMENT • link updated 21 months ago by Ram 43k • written 13.3 years ago by Anuraj Nayarisseri ▴ 750

score 2 · Answer 1 · 2010-12-18

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13.3 years ago

Egon Willighagen 5.4k

I few projects that you may find interesting: OpenTox (doi:10.1186/1758-2946-2-7) and the derived ToxPredict.

ADD COMMENT • link 13.3 years ago by Egon Willighagen 5.4k

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thanks. Can you sent me any literature or manual for OpenTox.

ADD REPLY • link 13.3 years ago by Anuraj Nayarisseri ▴ 750

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The OpenTox paper is linked in the answer, and the linked OpenTox website has documentation on how the API works.

ADD REPLY • link 13.2 years ago by Egon Willighagen 5.4k

score 2 · Answer 2 · 2011-04-23

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13.0 years ago

Abhik ▴ 30

U can check PreADME http://preadmet.bmdrc.org/

ADD COMMENT • link 13.0 years ago by Abhik ▴ 30

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I knew about this tool. bt its not working now

ADD REPLY • link 13.0 years ago by Anuraj Nayarisseri ▴ 750