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Found 6 result(s)

datastore by Universität Münster

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datastore is the cross-domain research data repository of the University Münster (Germany). In datastore, scientific members of the University Münster can publish their research data following the FAIR principles, including the assignment of a DOI for each dataset as a persistent identifier.

Pitt Quantum Repository

PQR

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PQR is an online database of molecular properties predicted from quantum mechanics with integrated capabilities for molecular visualization and data sharing. ased on the number of molecules, PQR is currently the largest open database of molecular quantum calculations. PQR features interactive high-quality rendering of molecular structures and properties on computers, tablets, and cell phones and allows to efficiently share data via digital object identifiers (DOI) and scannable QR barcodes.

Spectral Database for Organic Compounds

SDBS

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SDBS is an integrated spectral database system for organic compounds, which includes 6 different types of spectra under a directory of the compounds. The six spectra are as follows, an electron impact Mass spectrum (EI-MS), a Fourier transform infrared spectrum (FT-IR), a 1H nuclear magnetic resonance (NMR) spectrum, a 13C NMR spectrum, a laser Raman spectrum, and an electron spin resonance (ESR) spectrum.

Environmental data explorer

EDE

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<<<!!!<<< This repository is no longer available. Resource Unavailable The requested url (http://geodata.grid.unep.ch/) no longer exists, please contact info@unepgrid.ch for further information.. >>>!!!>>>

PSnpBind

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PSnpBind is a large database of protein–ligand complexes covering a wide range of binding pocket mutations and small molecules’ landscape. This database can be used as a source of data for different types of studies, for example, developing machine learning algorithms to predict protein–ligand affinity or mutation's effect on it which requires an extensive amount of data with a wide coverage of mutation types and small molecules. Also, studies of protein-ligand interactions and conformer orientation changes across different mutated versions of a protein can be established using data from PSnpBind.

RADAR4Chem

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RADAR4Chem is a low-threshold and easy-to use service for sustainable publication and preservation of research data from all disciplines of chemistry. It offers free publication for any data type and format according to the FAIR principles, independent of the researcher´s institutional affiliation. Through persistent identifiers (DOI) and a guaranteed retention period of at least 25 years, the research data remain available, citable and findable long-term. Currently, the offer is aimed exclusively at researchers in the field of chemistry at publicly funded research institutions and universities in Germany. No contract is required and no data publication fees are charged. The researchers are responsible for the upload, organisation, annotation and curation of research data as well as the peer-review process (as an optional step) and finally their publication.