PubChem 2019 update: improved access to chemical data

PubChem 2019 update: improved access to chemical data

2018 | Sunghwan Kim, Jie Chen, Tiejun Cheng, Asta Gindulyte, Jia He, Siqian He, Qingliang Li, Benjamin A. Shoemaker, Paul A. Thiessen, Bo Yu, Leonid Zaslavsky, Jian Zhang and Evan E. Bolton
The article provides an update on the improvements and new features of PubChem, a key chemical information resource for biomedical research. Key highlights include: 1. **Data Content Enhancements**: - **Spectral Information**: Over 591,000 compounds now have spectral information, including NMR, IR, MS, and more. - **Scientific Articles**: 26 million links between 600,000 chemicals and four million scientific articles. - **Food and Agricultural Chemicals**: Annotations from authoritative sources for pesticides, food additives, and nutrients. 2. **New Web Interfaces**: - **PubChem Target View Page**: Provides a target-centric view of PubChem data for genes or proteins, including bioactivity data, curated ligands, and annotations. - **Bioactivity Dyad Pages**: Show bioactivity data for chemicals tested in specific assays or against specific targets. - **Patent View Page**: Summarizes chemicals mentioned in patents, along with patent details. - **Sources Page**: Offers an overview of data contributors and their contributions. - **Widgets 2.0f**: Allows users to display PubChem data on their webpages. - **PUG-View**: A new programmatic access interface for annotations. 3. **Programmatic Access**: - **PUG-View**: A REST-style interface for accessing annotations. - **Dynamic Traffic Throttling**: Ensures service availability by managing web traffic during periods of high demand. 4. **Legacy Designation**: - Introduces a legacy designation for outdated records to help users identify and update information. 5. **Molecular Weight Updates**: - Updates molecular weights using IUPAC recommendations and conventional atomic weights. These improvements aim to enhance the discoverability, accessibility, and usability of chemical information in PubChem, supporting various research areas such as cheminformatics, chemical biology, and drug discovery.The article provides an update on the improvements and new features of PubChem, a key chemical information resource for biomedical research. Key highlights include: 1. **Data Content Enhancements**: - **Spectral Information**: Over 591,000 compounds now have spectral information, including NMR, IR, MS, and more. - **Scientific Articles**: 26 million links between 600,000 chemicals and four million scientific articles. - **Food and Agricultural Chemicals**: Annotations from authoritative sources for pesticides, food additives, and nutrients. 2. **New Web Interfaces**: - **PubChem Target View Page**: Provides a target-centric view of PubChem data for genes or proteins, including bioactivity data, curated ligands, and annotations. - **Bioactivity Dyad Pages**: Show bioactivity data for chemicals tested in specific assays or against specific targets. - **Patent View Page**: Summarizes chemicals mentioned in patents, along with patent details. - **Sources Page**: Offers an overview of data contributors and their contributions. - **Widgets 2.0f**: Allows users to display PubChem data on their webpages. - **PUG-View**: A new programmatic access interface for annotations. 3. **Programmatic Access**: - **PUG-View**: A REST-style interface for accessing annotations. - **Dynamic Traffic Throttling**: Ensures service availability by managing web traffic during periods of high demand. 4. **Legacy Designation**: - Introduces a legacy designation for outdated records to help users identify and update information. 5. **Molecular Weight Updates**: - Updates molecular weights using IUPAC recommendations and conventional atomic weights. These improvements aim to enhance the discoverability, accessibility, and usability of chemical information in PubChem, supporting various research areas such as cheminformatics, chemical biology, and drug discovery.
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