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
Lo scopo di questo protocollo è quello di generare e curare in modo efficiente librerie di strutture a piccole molecole utilizzando software open source.