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Accelrys databases

We want to thank Alex Avdeef for supply with an updated log P database. Thanks are also due to Pranas Japertas (Pharma Algorithms, Canada) for calculating the test set with AB/LogP and to Remy Hoffmann (Accelrys, Prance) for doing such calculations with ALOGP98. [Pg.375]

This Accelrys provided database is based on the journals of the Royal Society of Chemistry (RSC) (308). It primarily contains information on the metabolic fate of chemicals (including pharmaceuticals, agrochemicals, food additives, and environmental and industrial chemicals) in vertebrates, invertebrates, and plants. New entries can be added, and the database may be searched graphically. This database can be combined with various computational tools from Accelrys for target-specific analysis and modeling. Metabolic pathways are organized alphanumerically, and future releases are scheduled to include a comprehensive survey of the metabolism literature (308,309). [Pg.494]

The CAP (Chemicals Available for Purchase) database is a compilation of commercially available compounds from all major vendors. This electronic catalogue is maintained by Accelrys Inc. in several formats [94] and contains more than 1.6 million unique entries. [Pg.360]

Computational results were obtained using Spartan 08 (Wavefunction Inc., Irvine, CA) and software programs from Accelrys Software Inc. with graphical displays generated by the Discovery Studio Visualizer. Where protein structures have been downloaded from the RCSB Protein Data Bank the full references and PDB IDs have been given. I wish to acknowledge the use of the Chemical Database Service at Daresbury for access to other crystal structures. Again, full primary sources can be found in the references. [Pg.270]

SPS (Solid-Phase Synthesis) database ver 2003. 1, Accelrys Inc., San Diego, 2004. [Pg.103]

Accelrys. A subsidiary of Pharmacopeia, Inc, Accelrys was originally a provider of molecular modeling software. They recently acquired several companies that provide offerings in the chemical information and bioinformatics areas. The company provides unique databases including several for reactions. [Pg.384]

The chemical information programs provided by Accelrys include several database systems. [Pg.385]

Accord Database Explorer—to access Accelrys reaction databases... [Pg.385]

Accelrys Accord and RS database systems http //ww w. accelrys. com. [Pg.414]

LigandFit (www.accelrys.com) Monte Carlo LIGSCORE, PLP, PMF, LUDI Single molecule docking database searching... [Pg.407]

The resulting hypotheses can be used to iteratively search chemical databases Accelrys, Inc. http //www.accelrys.com/products/catalyst/catalystproducts/cathypo.htm... [Pg.117]

Catalyst. Catalyst is a database program package from Accelrys. 1998. [Pg.133]

Accelrys formerly the Oxford Molecular Group. Has a Cheminformatics database that specializes in multiple suppher databases, plus a variety of software tools for chemists. http -llwww.accelrys.comlchem... [Pg.58]

See other pages where Accelrys databases is mentioned: [Pg.448]    [Pg.762]    [Pg.372]    [Pg.35]    [Pg.52]    [Pg.54]    [Pg.99]    [Pg.5]    [Pg.235]    [Pg.299]    [Pg.456]    [Pg.168]    [Pg.2]    [Pg.47]    [Pg.260]    [Pg.45]    [Pg.53]    [Pg.189]    [Pg.201]    [Pg.35]    [Pg.42]    [Pg.802]    [Pg.280]    [Pg.277]    [Pg.382]    [Pg.189]    [Pg.5]    [Pg.487]    [Pg.76]    [Pg.1624]    [Pg.40]    [Pg.41]    [Pg.425]    [Pg.345]    [Pg.230]   
See also in sourсe #XX -- [ Pg.384 ]

See also in sourсe #XX -- [ Pg.384 ]



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