Additional Structure Modifications and Descriptor Generation
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Results: Chemical Space of All Filtered Amino Acid Libraries, Mean van der Waals Volumes and Mean XLogP Values of Libraries with and without Sulfur, and Effects of a Trivalent Pseudoatom on MAYGEN Structure Generation
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Conclusion
Formålet med denne protokol er effektivt at generere og kuratere småmolekylestrukturbiblioteker ved hjælp af open source-software.