02:11Filter Compounds with Undesired Substructures
03:31Additional Structure Modifications and Descriptor Generation
05:22Results: 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
El propósito de este protocolo es generar y curar de manera eficiente bibliotecas de estructuras de moléculas pequeñas utilizando software de código abierto.