SATELLiTES-SBDD 1.0.11

SATELLiTES - Take your synthon-based ligand discovery to infinity and beyond

Take your synthon-based ligand discovery to infinity and beyond !

SATELLiTES is an open-source software designed to facilitate chemical space exploration and aid in the discovery of new hit compounds, starting from a specific two-reagents or three-components chemical reaction encoded in SMARTS format and a list of commercially available or ready-to-use compatible synthons. SATELLiTES is based on the hierarchical combinatorial approaches of synthon-based drug discovery, that can enable the fast exploration of ultra-large chemical libraries.

You can use SATELLiTES in two different ways:

• By using the graphical interface, downloadable from the Python Package Index (https://pypi.org/project/SATELLiTES-SBDD/)
• By using the KNIME extension, downloadable from the extension manager (WIP)

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How to use SATELLiTES

If you want to learn how to use SATELLiTES, please have a look at https://satellites.readthedocs.io/en/latest/index.html

This software is under active development: if you find any bug, critical issue, or if you just want to make comments/suggestions to improve the tool, please leave a comment in the "Issues" section. Thanks in advance for your help!

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Citation

If you find SATELLiTES useful or if you use it, please cite us:

C Bedart, JJ Irwin, M Schapira - Take your synthon-based ligand discovery to infinity and beyond with SATELLiTES, a Synthon-based Approach for the Targeted Enumeration of Ligand Libraries and Expeditious Screening
https://github.com/cbedart/SATELLiTES/
2024 - To be published

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This software is under active development: if you find any bug, critical issue, or if you just want to make comments/suggestions to improve the tool, please leave a comment in the "Issues" section. Thanks in advance for your help!