Instant JChem Overview Webinar Series

webinar · 10 years ago

Dec 17, Jan 7, 26, Feb 9, 25, Mar 9: 4pm CET, 10am EST, 7am PST

The Series

The Instant JChem (IJC) Overview Webinar Series breaks down Instant JChem's funcitonality into use areas with a focus on the majorfeatures and workflows.

Details and sign-up

Multi-user access and security in IJC

December 17: 4pm CET, 10am EST, 7am PST When IJC is used in a multi-user environment with MySQL or Oracle databases, security settings would usually be put in place by the IJC administrator. This webinar will describe these options, and show how data can be provided in IJC in a controlled manner, so that changes can only be made be appropriate people. We will describe the different options for configuring security, ranging from those entirely within IJC to those that allow external LDAP or Active Directory servers to be used, and show how access to specific data can be restricted.

Structure based predictions with Calculator Plugins

January 7: 4pm CET, 10am EST, 7am PST The ChemAxon Calculator plugins provide a wide range of structure based predictions, ranging from simple calculations like H-bond donors, logP though to more complex computational chemistry calculations. These calculations are accessible directly from the Marvin user interface, but can also be accessed in more powerful ways using the chemical terms language. This allows more complex expressions such as Lipinski rule of 5 to be defined, and for these expressions to be used for calculated columns in a database or as filters for structure based queries. This webinar will demonstrate use of calculator plugins and the chemical terms langauge and will show how they can be used in more advanced ways such as clustering a set of structures or examining the possible tautomers of a structure database.

Form design and URL fields

January 26: 4pm CET, 10am EST, 7am PST This webinar will demonstrate the IJC form and grid views, and show how these can be easily built and modified. The grid view is for displaying data in a spreadsheet-like manner, whilst the form view is more suited for building custom reports and for displaying relational data. We will show how different types of data can be handled, including the way the new URL fields can be used for displaying data such as graphics files pulled in from your network or the internet, or for linking out to documents or information on the network.

Links and resources

Details and sign-up

Searching in IJC - structure/non-structure search

February 9: 4pm CET, 10am EST, 7am PST This webinar will demonstrate how to search data in IJC, including the powerful structure search features such as searching for chiral structures, performing similarity searches and searching amongst Markush structures. We will also show how structure searches can be combined with searches on non-structural data, and how structure based predictions can be included in the search criteria, and how queries, and their hit lists, can be saved and re-used at a later date.

Import and export

February 25: 4pm CET, 10am EST, 7am PST IJC has the ability to import and export data in a wide range of formats such as SDF, smiles, InChi and CSV. These capabilities will be demonstrated, and we will also show how data from multiple sources can be combined into a relational data model, or merged into the same table.

Database design

March 9: 4pm CET, 10am EST, 7am PST The IJC Schema Editor can be used to build your own database model, including handling relational data. We will show how a database can be created inside IJC to handle scenarios such as creating a simple compound management system that handles batches and samples of a compound. IJC can also connect to an existing database that already contains tables with data in them. We will show how IJC can be connected up to an existing database and used as a reporting tool.