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NCBI E-utilities (Bio Databases)
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NCBI E-utilities (Bio Databases)

PubChem is the world's largest collection of freely accessible chemical information. Search chemicals by name, molecular formula, structure, and other identifiers. Find chemical and physical properties, biological activities, safety and toxicity information, patents, literature citations and more.

Developer PlatformsHealth Life ScienceScience Health PublicStructured DataKnowledge Base DataData Content
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1 credits
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Retrieve AIDs by activity name

Find PubChem Assay Identifiers (AIDs) that measure a specific activity type (e.g., EC50).; Retrieve list of Assay IDs (AIDs) that measure a specific activity type (e.g., EC50)

BioassayBiologyPubchemSample: activity_name, output_format
1 credit / call
Unknown
Latency unavailable
Retrieve assay description by AID

Fetch the description section of a PubChem BioAssay record.

BioassayBiologyPubchemSample: aid, output_format
1 credit / call
Unknown
Latency unavailable
Retrieve assay summary by AID

Fetch a simplified summary of a PubChem BioAssay including target and activity counts.

BioassayBiologyPubchemSample: aid, output_format
1 credit / call
Unknown
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Retrieve AIDs by Assay Type or Source

Returns assay identifiers (AIDs) by type or source.

BioassayBioinformaticsHealth & Life ScienceSample: format, input_type, input_value
1 credit / call
Unknown
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Retrieve concise assay data by AID

Fetch concise BioAssay data including activity outcomes and concentrations.; Retrieve concise BioAssay data including active concentration readout and additional metadata

BioassayBiologyPubchemSample: aid, output_format
1 credit / call
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Retrieve assay data by AID

Fetch BioAssay data rows (default operation for assays).; Retrieve full BioAssay data by Assay ID (AID) in specified format

BioassayChemical BiologyAssay DataSample: aid, output_format
1 credit / call
Unknown
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Retrieve compound property by CID

Fetch a specific pre-computed property for a PubChem compound.

ChemistryChemical DataPubchemSample: cid, output_format, property_name
1 credit / call
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Retrieve full compound record by CID

Fetch the complete PubChem compound record for a given CID in various formats.

ChemistryChemical DataPubchemSample: cid, output_format
1 credit / call
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Retrieve Related CIDs

Get related compound identifiers (CIDs) from a given CID with options like parent, component, same_stereo, etc.

ChemistryChemical RelationshipsCompound IdentifiersSample: cids, output_format
1 credit / call
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Retrieve similar compounds by 3D similarity

Find compounds similar in 3D structure to a reference compound specified by CID.

ChemistryChemical DataPubchemSample: cid, output_format
1 credit / call
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Retrieve CIDs by compound name

Get PubChem Compound Identifiers (CIDs) matching a given chemical name.

ChemistryChemical DataPubchemSample: name, output_format
1 credit / call
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Retrieve Compound Properties

Fetch one or more chemical properties for a compound by CID, name, SMILES, InChIKey, or other identifiers.

ChemistryChemical DataCompound PropertiesSample: namespace, identifiers, output_format
1 credit / call
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Retrieve protein summary

Retrieve summary information for proteins including ProteinAccession, Name, Taxonomy, and Synonyms

BioinformaticsProteomicsSample: input_type, output_format, protein_input
1 credit / call
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Submit, Poll, or Cancel PUG Task

Manages PubChem Power User Gateway (PUG) tasks via HTTP POST with XML payload. Supports submitting new tasks (download, query, standardization, request management), polling task status using a request ID, and canceling active tasks.

ChemistryBioinformaticsData Retrieval
1 credit / call
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Submit PUG Request

Submit a Power User Gateway (PUG) request to PubChem for compound data retrieval, structure search, or download operations.

ChemistryBioinformaticsData Retrieval
1 credit / call
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Retrieve Biologic Image

Retrieve biologic image associated with a compound using internal identifier.

ChemistryBioinformaticsImageSample: format, biologic_id
1 credit / call
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Retrieve NCBI LinkOut Records

Retrieve listing of all NCBI LinkOut records for a substance, compound, or assay.

ChemistryBioinformaticsLinkingSample: format, identifier, record_type
1 credit / call
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Retrieve QR Code for Compound

Generate QR code linking to LCSS page for a compound (short or long format).

ChemistrySafetyImageSample: cid, format, qr_type
1 credit / call
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Retrieve Full Record Data

Retrieve complete structured data for a PubChem record.

ChemistryBioinformaticsData RetrievalSample: format, identifier, record_type
1 credit / call
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Retrieve Full Substance Record

Fetch the complete substance record using SID or source ID in formats like SDF, XML, JSON, PNG.

ChemistryChemical DataSubstance RecordsSample: namespace, identifiers, output_format
1 credit / call
Unknown
Latency unavailable