GET TID and PREF_NAME from CHEMBL

I want to retrieve relationship between TID and PREF_NAME in specific case from ChEMBL DB. SQL query is following. I ran the sql and got result like …. :-)  

Installing TensorFlow on Mac OX X with GPU support

Yesterday, I tried to install tensorflow-gpu on my mac. My PC is MacBook Pro (Retina, 15-inch, Mid 2014). The PC has NVIDA GPU. OS is Seirra. Details are described in following URL. https://www.tensorflow.org/install/install_mac I installed tensorflow directly by using pip command. Almost done, but not finished yet. To finish the installation, I need to disable

Open drug discovery toolkit for python

Recently There are lots of python libraries for chemoinformatics and machine learning. One of my favorites is RDKit. ;-) These area is still active. And today I tried new library named “ODDT” open drug discovery toolkit. Reference URL is https://jcheminf.springeropen.com/articles/10.1186/s13321-015-0078-2. ODDT is well documented in http://oddt.readthedocs.io/en/latest/index.html?highlight=InteractionFingerprint. ⭐️ Oddt is implemented shape and electronic similarities!! I