Курирование вычислительных химических библиотек, демонстрируемых с помощью альфа-аминокислот

0:49

Software and File Downloads

1:42

Structure Generation Using MAYGEN

2:11

Filter Compounds with Undesired Substructures

3:31

Additional Structure Modifications and Descriptor Generation

5:22

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

7:22

Conclusion