ChEMBL web services: streamlining access to drug discovery data and utilities
ChEMBL is now a well-established resource in the fields of drug discovery and medicinal
chemistry research. The ChEMBL database curates and stores standardized bioactivity …
chemistry research. The ChEMBL database curates and stores standardized bioactivity …
Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery
MM Nowotka, A Gaulton, D Mendez… - Expert opinion on …, 2017 - Taylor & Francis
Introduction: ChEMBL is a manually curated database of bioactivity data on small drug-like
molecules, used by drug discovery scientists. Among many access methods, a REST API …
molecules, used by drug discovery scientists. Among many access methods, a REST API …
Many InChIs and quite some feat
WA Warr - Journal of computer-aided molecular design, 2015 - Springer
Fifteen years have passed since the International Union of Pure and Applied Chemistry
(IUPAC) international chemical identifier (InChI) project [1–8] was initiated in 2000. The …
(IUPAC) international chemical identifier (InChI) project [1–8] was initiated in 2000. The …
Want drugs? Use python
We describe how Python can be leveraged to streamline the curation, modelling and
dissemination of drug discovery data as well as the development of innovative, freely …
dissemination of drug discovery data as well as the development of innovative, freely …