PinnedLeela S. DoddaCool Comp. Chem. Papers: April 2022Computational Methods for Drug Discovery have been progressing rapidly, and keeping up with the literature is not trivial. This blog is a…2 min read·Apr 21, 2022----
Leela S. DoddaUsing ChEMBL-SQL database for Molecular Data CurationChEMBL database is the primary source of data for doing any large-scale analysis in early Drug Discovery. Accessing data from ChEMBL is…3 min read·Nov 16, 2021----
Leela S. DoddaAtomic Charges from OpenBabelAtomic charges are one of the key parameters that you need to generate for modeling molecular systems. Atomic charges determine the overall…3 min read·Oct 31, 2021----