Nov 06, 2018 · INTRODUCTION. ChEMBL is a large, open-access drug discovery database that aims to capture Medicinal Chemistry data and knowledge across the pharmaceutical research and development process . Information about small molecules and their biological activity is extracted from the full text articles of several core Medicinal Chemistry journals and
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Get a quoteGitHub; Introduction. GraphQL.org is the best place to get started learning GraphQL. Here is an excerpt from the introduction: GraphQL is a query language for your API, and a server-side runtime for executing queries by using a type system you define for your data. GraphQL isn't tied to any specific database or storage engine and is instead
Get a quoteSep 09, 2014 · Motivation The CheMBL Web Services provide simple reliable programmatic access to the data stored in ChEMBL database. RESTful API approaches are quite easy to master in most languages but still require writing a few lines of code. Additionally, it can be a challenging task to write a nontrivial application using REST without any examples.
Get a quoteThe ChEMBL Gateway aims to satisfy a number of requirements for loading and storing data in ChEMBL Although loading data to ChEMBL will remain by invitation only, and will remain in the complete control of ChEMBL administrators, the external facing 'Gateway' aims to stimulate external requests, and assist depositors in correctly formatting depositions before submission …
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Get a quoteMore than 50 examples have been published, with source code on GitHub. Searches of eMolecules can be carried out. The hERG assistant has a Matched Molecular Pairs based knowledge base. The model is trained on data from a patch clamp assay in ChEMBL. There is a REST API to JChem Base. The hERG assistant will soon be extended with the new
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Get a quoteOverview. This page describes our REST web services which are designed to provide computational access to the data in the Guide to PHARMACOLOGY. The web services currently serve up JSON files, though we will look at extending the range of options in the future. You can retrieve families, targets, genes, ligands, interactions and text annotations.
Get a quoteIntroduction: 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
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Get a quoteOct 26, 2014 · 1 Introduction. Systematic analyses of bioactive small molecules and their molecular targets and homologues form the basis of a number of novel applications in computational drug discovery and systems and chemical biology, including methods of target prediction (Martínez-Jiménez et al., 2013), and for the establishment of functional relationships …
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Get a quoteThe ChEMBL Group has 67 repositories available. Follow their code on GitHub.
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