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AutoClickChem simulates click-chemistry reactions in silico to create large compound libraries for virtual drug screening and streamlined real-world synthesis.

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AutoClickChem 1.0.0

NOTES

The AutoClickChem Project, published in 2012 (PMC3305364), sought to automate in silico chemical synthesis. To preserve this resource for historical reasons and accommodate any existing software dependencies, we archive the AutoclickChem project here.

The software is not actively maintained and is compatible only with Python 2 (not modern Python 3). We generally recommend using more modern solutions (e.g., SMARTS-based reactions via RDKit).

ORIGINAL README

Click here to read the original README file.

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AutoClickChem simulates click-chemistry reactions in silico to create large compound libraries for virtual drug screening and streamlined real-world synthesis.

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License

GPL-3.0, GPL-3.0 licenses found

Licenses found

GPL-3.0
LICENSE.md
GPL-3.0
COPYING

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