A5090242045- Biomedical Text Mining and Ontologies
- Computational Drug Discovery Methods
- Metabolomics and Mass Spectrometry Studies
- Semantic Web and Ontologies
- Lanthanide and Transition Metal Complexes
- Bioinformatics and Genomic Networks
- Evaluation and Optimization Models
- Advanced Decision-Making Techniques
- Various Chemistry Research Topics
- Synthesis and biological activity
- Genomics and Phylogenetic Studies
- Robotics and Automated Systems
- Advanced Text Analysis Techniques
- Genomics and Chromatin Dynamics
- Scientific Computing and Data Management
- Single-cell and spatial transcriptomics
- History and advancements in chemistry
- Evaluation Methods in Various Fields
- IoT and Edge/Fog Computing
- Context-Aware Activity Recognition Systems
- Analytical Chemistry and Chromatography
- Microbial Natural Products and Biosynthesis
- CRISPR and Genetic Engineering
- Genetics, Bioinformatics, and Biomedical Research
Fred Hutch Cancer Center
2025
National Center for Biotechnology Information
2011-2024
National Institutes of Health
2011-2024
United States National Library of Medicine
2023
Beijing Jiaotong University
2009-2015
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a public repository for information on chemical substances and their biological activities, launched in 2004 as component of the Molecular Libraries Roadmap Initiatives US National Institutes Health (NIH). For past 11 years, has grown to sizable system, serving resource scientific research community. consists three inter-linked databases, Substance, Compound BioAssay. The Substance database contains deposited by individual data contributors...
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves the scientific community as well general public, with millions of unique users per month. In past two years, made substantial improvements. Data from more than 100 new data sources were added to PubChem, including chemical-literature links Thieme Chemistry, and physical property SpringerMaterials, patent World Intellectual Properties Organization (WIPO). PubChem's homepage individual record...
PubChem (https://pubchem.ncbi.nlm.nih.gov) is a key chemical information resource for the biomedical research community. Substantial improvements were made in past few years. New data content was added, including spectral information, scientific articles mentioning chemicals, and food agricultural chemicals. released new web interfaces, such as Target View page, Sources Bioactivity dyad pages Patent page. also major update to Widgets introduced programmatic access interface, called PUG-View....
NCBI's Conserved Domain Database (CDD) aims at annotating biomolecular sequences with the location of evolutionarily conserved protein domain footprints, and functional sites inferred from such footprints. An archive pre-computed annotation is maintained for proteins tracked by Entrez database, live search services are offered as well. CDD curation staff supplements a comprehensive collection family models, which have been imported external providers, representations selected families that...
Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is a popular chemical information resource that serves wide range of use cases. In the past two years, number changes were made to PubChem. Data from more than 120 data sources was added Some major highlights include: integration Google Patents into PubChem, which greatly expanded coverage Patent collection; creation Cell Line and Taxonomy collections, provide quick easy access for given cell line taxon, respectively; update bioassay model....
Abstract PubChem (https://pubchem.ncbi.nlm.nih.gov) is a large and highly-integrated public chemical database resource at NIH. In the past two years, significant updates were made to PubChem. With additions from over 130 new sources, contains >1000 data 119 million compounds, 322 substances 295 bioactivities. New interfaces, such as consolidated literature panel patent knowledge panel, developed. The combines all references about compound into single list, allowing users easily find,...
PubChem is an open repository for small molecules and their experimental biological activity. integrates provides search, retrieval, visualization, analysis, programmatic access tools in effort to maximize the utility of contributed information. There are many diverse chemical structures with similar efficacies against targets available that difficult interrelate using traditional 2-D similarity methods. A new layer called PubChem3D added assist this analysis.PubChem generates a 3-D...
PubChem (https://pubchem.ncbi.nlm.nih.gov) is one of the largest open chemical information resources available. It currently receives millions unique users per month on average, serving as a key resource for many research fields such cheminformatics, biology, medicinal chemistry, and drug discovery. provides multiple programmatic access routes to its data services. One them PUG-REST, Representational State Transfer (REST)-like web service interface PubChem. On PUG-REST more than million...
PubChem is an open archive consisting of a set three primary public databases (BioAssay, Compound, and Substance). It contains information on broad range chemical entities, including small molecules, lipids, carbohydrates, (chemically modified) amino acid nucleic sequences (including siRNA miRNA). Currently (as Nov. 2015), more than 150 million depositor-provided substance descriptions, 60 unique structures, 225 biological activity test results provided from over 1 assay records. Many...
Developing structure-activity relationships (SARs) of molecules is an important approach in facilitating hit exploration the early stage drug discovery. Although information on millions compounds and their bioactivities freely available to public, it very challenging infer a meaningful novel SAR from that information.Research discussed present paper employed bioactivity-centered clustering group 843,845 non-inactive stored PubChem according both structural similarity bioactivity similarity,...
The literature knowledge panels developed and implemented in PubChem are described. These help to uncover summarize important relationships between chemicals, genes, proteins, diseases by analyzing co-occurrences of terms biomedical abstracts. Named entities PubMed records matched with chemical names PubChem, disease Medical Subject Headings (MeSH), gene/protein popular information resources, the most closely related identified using statistical analysis relevance-based sampling. Knowledge...
Abstract PubChem ( https://pubchem.ncbi.nlm.nih.gov ) is a public chemical information resource containing more than 100 million unique structures. One of the most requested tasks in and other databases to search chemicals by name (also commonly called “chemical synonym”). performs this task looking up synonym-structure associations provided individual depositors PubChem. In addition, these synonyms are used for many purposes, including creating links between PubMed articles (using Medical...
IoE (Internet of Everything) is the new wave next to Mobile Internet and Things when both bond together. To make it happen, there must be enabling technologies. In this paper, we discussed implementation Scene Perception in era which based on enterprise mobile application “container-cloud” model software-defined applications platform.