#chembl

[the-caffeinated-scientist]

04/21/19 || Midterms 🧪

[cresset-group]

ChEMBL leadlike compounds freely searchable on Blaze demo server

The Blaze virtual screening demo server has proved popular since its launch last year, however, we wanted to extend the range of compounds that are available for users to search. We have now achieved this through the introduction of three new collections of ChEMBL compounds. These collections provide leadlike compounds for drug, agrochemical, flavor and fragrance discovery that are suitable for the evaluation of Blaze in these areas. The collections are open to all registered Blaze demo users whether accessed through a web page, KNIME or using Forge, Torch, or TorchLite.

http://www.cresset-group.com/2015/04/chembl-leadlike-compounds-freely-searchable-on-blaze-demo-server/

[cresset-group]

Rapid and simple Blaze database population and searching using KNIME and Forge

In this case study, a Blaze database of approximately 200,000 compounds from ChEMBL was prepared in a seamless manner using a KNIME workflow and standard Blaze database creation routines

http://www.cresset-group.com/2015/04/rapid-and-simple-blaze-database-population-and-searching-using-knime-and-forge/