Tag

chemistry

Showing 21 - 31 out of 31 datasets
  • NMRShiftDB

    Offsite — Description > NMRShiftDB is a NMR database (web database) for organic structures and their nuclear magnetic resonance (nmr) spectra. It allows for spectrum prediction (13C, 1H and other nuclei) as well as for searching spectra, structures and other properties. Last not least, it features peer-reviewed submission of datasets by its users. The NMRShiftDB software is ...
  • Blue Obelisk Data Repository (BODR)

    No Data — Description “Another core Blue Obelisk project is the development of a shared data repository. This repository lists many important chemoinformatics data such as elemental properties, atomic radii, etc. including references to original literature. Software developers can use this repository on online webpages or in chemistry software for free.” Repository There is ...
  • Chemical Structure Repository

    Offsite — Description From project website: > Chemical Structures [was] initiated in June 2006. It aims to provide a set of organic structures, which includes 3D coordinates, InChi code, molecular weight, melting point, etc. The last relase (v1.05) contains over 250 structures. License BSD license according to [SourceForge project ...
  • National Geochemical Survey Database

    Offsite — National-scale geochemical analysis of stream sediments and soils in the US, from existing data, reanalysis of existing samples, and new sampling. Goal for sample density is one per 289 square km. Additional facts from data.gov Dataset Summary Date Released: 2004 Date Updated: 2008 Time Period: data obtained through 2007 Data.gov Data Category Type: Raw Data Catalog ...
  • National Water Quality Assessment (NAWQA) Program

    Offsite — National scope of NAWQA water-quality sample- and laboratory-result data and other supporting information obtained from NWIS systems hosted by individual Water Science Centers as well as national BioTDB system for aquatic biological data on communities and habitats and stored in a centralized NAWQA Data Warehouse (DWH) Additional facts from data.gov Dataset Summary Date ...
  • Geochemistry of Soils from the PLUTO Database

    Offsite — Geochemical data for soils collected in the United States and analyzed by the USGS. The data were originally entered into the in-house PLUTO database. This is a subset of DDS-47. Additional facts from data.gov Dataset Summary Date Released: 1998 Date Updated: 2001 Time Period: samples collected 1960-1995 Data.gov Data Category Type: Raw Data Catalog Frequency: none ...
  • 3D Version of the PubChem Library

    Offsite — This data set is a 3D Version of the PubChem Library. PubChem provides information on the biological activities of small molecules. It is a component of NIH’s Molecular Libraries Roadmap Initiative.
  • PubChem Library

    Offsite — PubChem provides information on the biological activities of small molecules. It is a component of NIH’s Molecular Libraries Roadmap Initiative.
  • UGI Virtual Conformer Library

    Offsite — Data in SD format on conformers for 500,000 molecules that can be used for virtual screening.
  • FindTheBest.com Nobel Prize Winners listing

    Offsite — Find and compare Nobel Prize winners by subject, year, university, country, age, gender, religion and more.
  • FindTheBest.com Paradoxes listing

    Offsite — Find and compare paradoxes by definitions, explanations, categories and more.