Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery.

ABSTRACT:

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 provides programmatic access, allowing the remote retrieval of ChEMBL data and its integration into other applications. This approach allows scientists to move from a world where they go to the ChEMBL web site to search for relevant data, to one where ChEMBL data can be simply integrated into their everyday tools and work environment. Areas covered: This review highlights some of the audiences who may benefit from using the ChEMBL API, and the goals they can address, through the description of several use cases. The examples cover a team communication tool (Slack), a data analytics platform (KNIME), batch job m

SUBMITTER: Nowotka MM 

PROVIDER: S-EPMC6321761 | biostudies-literature | 2017 Aug

REPOSITORIES: biostudies-literature