Spinus and nmrdb.org
I don't remember how many years ago I discovered the web. I was excited by how many things were available for free. There were a lot of curious and interesting things but, I was the first to admit, nothing really serious that could substitute a true book, or a true CD or a true computer program. The great thing about the internet was that I could easily read the opinions of other people around the world. I mean: ordinary people just like me. Things began to change with the appearance of SDBS 14 years ago. It was the first really useful thing I found on the web. The last discoveries are Spinus and nmrdb.org. SPINUS-WEB SPINUS (Structure-based Predictions In NUclear magnetic resonance Spectroscopy) is an on-going project for the development of structure-based tools for fast prediction of NMR spectra. SPINUS - WEB currently accepts molecular structures via a Java molecular editor, and estimates 1H NMR chemical shifts. The predictions are obtained from ensembles of previously trained ...