This document may not cover everything comprehensively; please browse and download! [Name] ChemExper Chemical Directory CDD (including MSDS, 5000 infrared spectra) [Resource Overview] The database currently contains over 70,000 chemicals, 16,000 MSDSs, 5,000 IR spectra, and more than 20 suppliers. It is the only chemical database that allows you to SUBMIT your own data! [Search Methods] You can find a chemical by its molecular formula, IUPAC name, common name, CAS number, catalog number, substructure or physical characteristics. [Location] bbb://aaachemexper.be/ [Name] nmrdb.org (NMR Spectrum Database and NMR Spectrum Prediction) [Resource Overview] This web-based approach implements a new Java applet that enables users to assign a chemical structure to the corresponding NMR spectrum simply by drawing lines between atoms and automatically characterizing signals. This NMR predictor allows for predicting the spectrum from the chemical structure based on Spinus (Structure-based Predictions In Nuclear Magnetic Resonance Spectroscopy), an ongoing project aimed at developing structure-based tools for fast prediction of NMR spectra developed by Gasteiger (bbb://www2.chemie.uni-erlangen.de/services/spinus/index.html). SPINUS - WEB currently accepts molecular structures via a Java molecular editor and estimates 1H NMR chemical shifts. [Location] bbb://aaanmrdb.org/ [Name] BioMagResBank (BMRB): A repository for nuclear magnetic resonance data of peptides, proteins, nucleic acids etc. [Resource Overview] Introduction: BioMagResBank (BMRB) is the publicly accessible depository for NMR results from peptides, proteins and nucleic acids recognized by the International Society of Magnetic Resonance as well as by IUPAC-IUBMB-IUPAB Inter-Union Task Group on Standardization of Data Bases of Protein and Nucleic Acid Structures Determined by NMR Spectroscopy. Additionally BMRB provides reference information and maintains a collection of NMR pulse sequences along with computer software for biomolecular NMR. Accessing data in BMRB is free directly from its website (URL bbb://aaabmrb.wisc.edu) or ftp site (ftp.bmrb.wisc.edu), which will remain so as long as public funding permits. The concept behind this biomolecular NMR data bank was developed under a five-year research grant awarded to University of Wisconsin-Madison from National Library of Medicine at NIH; this grant phased out after that period leading NIH to issue Requests for Applications seeking future support activities in this area where BMBR won competition since September 1st ,1996 being supported under grant #1 P41 LM05799 until August31st ,2004 . Aims: In collaboration with Protein Data Bank(PDB,Brookhaven National Laboratories )andNucleic AcidData Bank(NDB,RutgersUniversity ),BM RB aims develop into collection site structuralN MRdata proteinsnucleicacids . Steps are taken achieve capability include transmission all relevant datatoPDBandN DB collections.Additionally,BM RBgoals archiving specific including assignedchemicalshifts,J-couplings ,relaxation rates,andchemicalinformationderivedfromNM Rinvestigations(eg.hydrogenexchangerates,pKavalues ).Developing thesecollectionsBM RBintends responsive needs priorities scientificcommunity.TheoperatingpolicyatBM RBmonitoredshapedbyAdvisoryBoardwhichmeetsonceeachyeartoreviewprogresssetpriorities.AdvisoryBoardcomposedrepresentativeslaboratoriesoriginateusewithinpurview.[Location ]bbb://aaabmrb.wisc.edu/...
