%D8%A8%D9%88%D8%A8_%D9%83%D9%8A%D9%85PubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChem%D9%BE%D8%A7%D8%A8%E2%80%8C%DA%A9%D9%85PubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChem%E0%B4%AA%E0%B4%AC%E0%B5%8D%E2%80%8C%E0%B4%95%E0%B5%86%E0%B4%82PubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChemPubChem
about
P800
PubChemRDF: towards the semantic annotation of PubChem compound and substance databasesPubChemSR: a search and retrieval tool for PubChemLiterature information in PubChem: associations between PubChem records and scientific articlesThe PubChem chemical structure sketcherCheminformatics analysis of the AR agonist and antagonist datasets in PubChemPubChem structure–activity relationship (SAR) clustersSimilar compounds versus similar conformers: complementarity between PubChem 2-D and 3-D neighboring setsPubChem atom environmentsPubChem Substance and Compound databasesPubChem as a public resource for drug discoveryPubChem: Integrated Platform of Small Molecules and Biological ActivitiesPubChem BioAssay: 2017 updatePubChem as a Source of PolypharmacologyPubChem3D: Conformer generationAn overview of the PubChem BioAssay resourceA survey of across-target bioactivity results of small molecules in PubChemScaffold analysis of PubChem database as background for hierarchical scaffold-based visualizationPubChem: a public information system for analyzing bioactivities of small moleculesPubChem BioAssays as a data source for predictive modelsAn efficient algorithm coupled with synthetic minority over-sampling technique to classify imbalanced PubChem BioAssay data.Web search and data mining of natural products and their bioactivities in PubChemQSAR modeling of imbalanced high-throughput screening data in PubChem.Data mining a small molecule drug screening representative subset from NIH PubChem.Distributed chemical computing using ChemStar: an open source java remote method invocation architecture applied to large scale molecular data from PubChem.Developing and validating predictive decision tree models from mining chemical structural fingerprints and high-throughput screening data in PubChem.Data mining PubChem using a support vector machine with the Signature molecular descriptor: classification of factor XIa inhibitors.Maximum unbiased validation (MUV) data sets for virtual screening based on PubChem bioactivity data.A novel method for mining highly imbalanced high-throughput screening data in PubChem.The Text-mining based PubChem Bioassay neighboring analysis.A Java API for working with PubChem datasetsPubChem3D: Diversity of shape.PubChem3D: Similar conformersToluidinesulfonamide hypoxia-induced factor 1 inhibitors: alleviating drug-drug interactions through use of PubChem data and comparative molecular field analysis guided synthesis.Predicting adverse drug reactions using publicly available PubChem BioAssay dataVisualisation of the chemical space of fragments, lead-like and drug-like molecules in PubChem.Exploiting PubChem for Virtual Screening.PubChem3D: Shape compatibility filtering using molecular shape quadrupoles.PubChem3D: Biologically relevant 3-D similarityPubChem3D: a new resource for scientistsPubChem promiscuity: a web resource for gathering compound promiscuity data from PubChem.
P921
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P248
description
banque de données américaine de molécules chimiques
@fr
baza danych związków chemiczny ...... otechnology Information (NCBI)
@pl
bază de date ce conţine informaţii referitoare la compuşii chimici
@ro
chemical information database
@en
chemical information database
@en-gb
chemische Datenbank
@de
database over kjemiske sambindingar, stoff og bioassay
@nn
βάση δεδομένων χημικών ενώσεων
@el
база химических данных
@ru
化学分子データベースの一つ
@ja
name
PubChem
@be
PubChem
@be-tarask
PubChem
@bg
PubChem
@bs
PubChem
@ca
PubChem
@cs
PubChem
@da
PubChem
@de
PubChem
@el
PubChem
@en
type
label
PubChem
@be
PubChem
@be-tarask
PubChem
@bg
PubChem
@bs
PubChem
@ca
PubChem
@cs
PubChem
@da
PubChem
@de
PubChem
@el
PubChem
@en
altLabel
パブケム
@ja
prefLabel
PubChem
@be
PubChem
@be-tarask
PubChem
@bg
PubChem
@bs
PubChem
@ca
PubChem
@cs
PubChem
@da
PubChem
@de
PubChem
@el
PubChem
@en