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Probe Miner logo
Chemical Probes Objective Assessment Resource

The Probe Miner: Objective Assessment of Chemical Probes is a community resource for the evaluation of chemical probes based on large-scale, publicly available, medicinal chemistry data. It is intended to empower researchers to select the best probes based on objective, data driven criteria. This resource provides evaluation of > 1.8m small molecules against for >2,200 human targets and is regularly updated in response to updates in the publicly available medicinal chemistry data. Our continuing

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Human Metabolome Database logo

The Human Metabolome Database (HMDB) is a freely available electronic database containing detailed information about small molecule metabolites found in the human body. It is intended to be used for applications in metabolomics, clinical chemistry, biomarker discovery and general education.

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ChemSpyder logo

ChemSpider is a free-to-access collection of compound data from across the web, that offers text and structure searching to find compounds of interest and provides unique services to improve this data by curation and annotation and to integrate it with users’ applications.

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PubChem logo
NCBI
Subcategories: ncbi

PubChem (NCBI) provides information on the biological activities of small molecules. It is a component of NIH's Molecular Libraries Roadmap Initiative. PubChem includes substance information, compound structures, and BioActivity data in three primary databases, Pcsubstance, Pccompound, and PCBioAssay, respectively. The Substance/Compound database, where possible, provides links to BioAssay description, literature, references, and assay data points. The BioAssay database also includes links back

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eMolecules logo

eMolecules is a chemical structure search engine that links also to suppliers. The standard search allows querying for names, substructures, and suppliers.

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MassBank logo

MassBank is the first public repository of mass spectral data for sharing them among scientific research community. MassBank data are useful for the chemical identification and structure elucidation of chemical comounds detected by mass spectrometry. MassBank system is originally designed for public sharing of reference mass spectra for metabolite identification. It is also useful for their in-house or local sharing. Recently it finds another application; sharing mass spectra of unknown metabo

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Probes and Drugs logo

The Probes & Drugs aggregates publicly available information to help researchers select which chemicals to use. This portal is a public resource joining together focused libraries of bioactive compounds (probes, drugs, specific inhibitor sets etc.) with commercially available screening libraries. The purpose of the portal is to reflect the current state of bioactive compound space and to enable its exploration from different points of view.

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