Virtual library cleaning: Removing Boc-, Fmoc-, and tbutyl ester- protecting groups from molecule libraries. The Python script deprotect.py prepares molecular libraries of SMILES strings for virtual ...

"In this Jupyter notebook, we will dive into the world of Cheminformatics which lies at the interface of Informatics and Chemistry. We will be reproducing a research article (by John S. Delaney$^1$) ...

Cheminformatics is the use of computational and informational techniques to understand problems of chemistry, for instance in the in silico mapping of chemical space – the theoretical space occupied ...

Bioinformatics is rapidly changing the course of human health and history. Scientists and researchers use data like never before to save countless lives each day. Bioinformatics fuels new discoveries ...