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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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ChemBioFinder logo

ChemBioFinder.com is an online chemistry and biology reference database.At ChemBioFinder.com, a subscriber can search for compounds by name, CAS Registry Number, molecular formula or weight, or by structure (exact and substructure). Successful searches return a basic profile of molecules indexed by this site.

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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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SOLV-DB (Solvents) logo

The purpose of SOLV-DB is to help you find a wide variety of data on solvents quickly and easily.

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Indiana Cheminformatics Education Portal (ICEP) logo

This site from Indiana University, is designed to help people find and learn how to use chemical information resources on the Internet and elsewhere. It brings together Web sites at Indiana University with significant chemical information content.

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METLIN Metabolite Database logo

METLIN is a metabolite database for metabolomics that functions as a repository of metabolite information as well as tandem mass spectrometry data. It also represents a data management system designed to assist in a broad array of metabolite research and metabolite identification by providing public access to its repository of current and comprehensive MS/MS metabolite data.

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Metabolite Mass Spectra (MassBank) logo

Massbank presents the database of comprehensive, high-resolution mass spectra of metabolites.

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ChemBank logo
ChemBank allows: Broad

ChemBank goals are to provide life scientists access to raw screening data from biological assays along with calculated properties heretofore available almost exclusively in the private sector. ChemBank is intended to guide chemists synthesizing novel compounds or libraries, to assist biologists searching for small molecules that perturb specific biological pathways, and to catalyze the process by which drug hunters discover new and effective medicines.

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Periodic Table of Elements logo

Description not available.

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Atlas of Minerals logo

This database, maintained by Queensland University of Technology, provides information about mineralogy and is dedicated to providing access to physical and chemical data, photos, electron microscopy images, images of thin sections and analytical data of minerals.

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EDULISS logo

The relational database EDULISS (EDinburgh University Ligand Selection System), which stores structural, physicochemical and pharmacophoric properties of small molecules.

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Fragment Store logo

The FragmentStore database provides data on fragments from drugs, metabolites and toxic compounds. Co-occurrence of fragments in different drugs may indicate similar (off–) targets and the co-occurrence of fragments in drugs and toxic compounds or metabolites could be indicative for side effects.

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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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Chemical Probes logo

The expert-curated Chemical Probes Portal assesses more than 100 individual tool compounds to help researchers select which chemicals to use.

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