Chemical Abstracts Service (CAS) Scifinder Meeting

On Tuesday, April 12, 2011, LBNL’s Chemical Abstracts Service (CAS) representative Jennifer Sexton will be visiting LBNL from 10:30am-11:30am in Pers Hall (54-130).  Registration is encouraged by filling out the online form:

https://spreadsheets.google.com/a/lbl.gov/viewform?formkey=dGlITWVnU2RPcHhUSEN6amhYZk1lc3c6MQ

Jennifer will present the latest features shown below.

View experimental procedures

1. View experimental procedures (covering the period of 2005-2009) from six American Chemical Society journals as well as patents from the USPTO, EPO, and WIPO. 2. Examine, sort, and analyze experimental procedures for applicability to their synthetic research needs and more efficiently determine lab preparations and plan synthetic pathways.

Sort search results by relevance

Relevance ranking (as determined by Tanimoto similarity) is now the default sort order for reaction answer sets. This will speed review of answer sets and reduce the need to navigate through large answer sets since the most relevant answers will be presented first.

Structure drawing

1. Keyboard shortcut functions allow you to quickly highlight and change an atom or bond in a structure drawing. 2. Clickable bonds make it easy to change bond types from single to double to triple and easily sprout bonds from a carbon atom. 3. Structures generated in ChemDraw can simply be pasted into the SciFinder structure editor.

Reaction search and display

1. Specify non-participating functional groups or functional group classes you want to survive the reaction unchanged or limit reactions by specific solvents of interest. 2. Structures generated in ChemDraw can simply be pasted into the SciFinder structure editor. 3. Pull supplier information on chemicals in your reaction scheme using icons indicating commercial source availability

Get structures more efficiently using SMILES and InChI strings

Chemists can now save time drawing structures by converting InChI (International Chemical Identifier) or SMILES (Simplified Molecular Input Line Entry Specification) text strings within the drawing editor into graphic representations of specific substances.