Tehdyt toimenpiteet
CrossFire - Search strategies in new Reaxys workflow tool
NOTE! The course will be organized as a webinar! You do not need to travel to participate this! Email Johanna (johanna.blomqvist at csc.fi) to get instructions!
Training will focus especially in the new Reaxys workflow tool, as the current CrossFire Commander interface will be replaced by it in the fall 2010. This training teaches you search strategies in the Reaxys and includes refined structure searching, reaction searching, and data searching. Differences between Commander and Reaxys will also be handled.
Depending on the knowledge and interests of the participants, some items could be covered in depth – others could be skipped. Please fill in the registration form areas you are most interested in, the course will be tailored to fit to the needs of the users. Below you can find description of the typical Reaxys and CrossFire Commander courses.
Data Searching
Training will focus especially in the new Reaxys workflow tool, as the current CrossFire Commander interface will be replaced by it in the fall 2010. This training teaches you search strategies in the Reaxys and includes refined structure searching, reaction searching, and data searching. Differences between Commander and Reaxys will also be handled.
Depending on the knowledge and interests of the participants, some items could be covered in depth – others could be skipped. Please fill in the registration form areas you are most interested in, the course will be tailored to fit to the needs of the users. Below you can find description of the typical Reaxys and CrossFire Commander courses.
Morning session (10.00-12.00): Reaxys
Structure Searching
- Tips and Tricks about using Marvin Sketch (if needed)
- Use ‘Generate Structure’ from Name to start a search
- Substructure searches: Allow substitution only on specific atoms
- Get information about specific measured properties of compounds
- Use of Predefined Generic Groups and user defined atom lists to broaden the search
- R-Group Searches: Search with user defined generic groups
- List operations: Combine hitlists to find the most relevant hits
- Sorting of hit lists by specific parameters (e.g. No. of References, Publication Year))
- Combine structure queries with data queries (e.g. pka value range)
- Find the retro-Synthesis plan of a substance hit
- Searching for compounds and their properties using the ´Advanced Searching´ tab
- Searching for inorganic compounds
- Link to the original full-text literature/ original patent/Scopus
Reaction Searching
- Build multi-steps retro-synthesis from selected reactions
- Access commercial availability data of starting materials and products
- Use the Synthesis planner tool to find the optimum reaction across different publications
- Use different Filters to find the most promising reactions (Yield, Reagent)
- View detailed reaction description (Experimental procedure, analytical details like spectral description) from Patents & Journals
- Learn how to map reactions to avoid unwanted hits
- Define non-reacting substituents in a multi-substituted reactant
- Define reaction centers to specify the reacting bond
- Combine reaction searches with a specific data search (e.g.Reagent/Catalyst, Solvent, Yield)
- Link to the original literature/ original patent/Scopus
- Create keyword searches
- Refine searches by Author search, Journal search, or/and Publication Year search
Output/Printing
- Export search results using different export formats: PDF, Word, Excel, Smiles, RD, SD, RIS
Afternoon session (13.00-14.30): CrossFire Commander 7.1
Structure Searches
- Structure searching in the Beilstein database
- Substructure searches applying the different bond query options
- Allowing substitution only on specific atoms (´Implicit´ und ´Explicit Free Sites´)
- Use of Predefined Beilstein Generic Groups und user defined atom lists
- R-Group Searches: Search with user defined generic groups
- List operations: combine different hit lists
- Sorting/Grouping of hit lists by specific parameters
- Retro-Synthesis Report of a substance hit
- Link to the original literature/ original patent
Combined Structure/Reaction - Data Searches
- Use the Predefined Search Forms for data searching
Reaction Searches
- Reaction searching in the Beilstein database
- Mapping of reactions to avoid unwanted hits
- Defining reaction centers to specify the reacting bond
- Searching reactions using specific reagents
- New: View Multi-step reactions
Exporting/Printing
- Export search results using different export formats
Creating Alerts
- Create an Alert of a query to stay up-to-date
Program
Timetable:
- Morning session (10.00-12.00): Reaxys
- Afternoon session (13.00-14.30): CrossFire
Date:
11.11.2009 10:00 - 15:00
Location:
Course will be organized as a webinar, thus you can participate the course from your own PC!
Language:
English
Lecturers:
Dr. Bettina Furter, Elsevier
Price:
Free of charge
Registration
Registration has expired 09.11.2009 12:00
Additional information
To participate the webinar send email to Johanna Blomqvist at csc.fi. You will then get instructions what to do.
