ACD/Labs Add-ins for ISIS

Version 4.5 to 5.0

Add-in for ISIS/Draw

• In release 5.0, 2D NMR Predictor has been added to the growing list of ACD/Labs programs available in the "Step into ACD" mode.
• Now you can search through ChemFolder databases.
• You can also search through SpecManager databases, both regular ("flat") and SQL:

• Access the Name to Structure Options settings from the ISIS/Draw interface:

• Select the new Generate Structure from Name command from the Object menu in ISIS:

ISIS/Base/Host Add-ins

• The conversion to 32-bit greatly improves the quality of INTEGRATION-release 5.0 is much faster and much more reliable. This is above and beyond the improvement in calculation times in ACD/Labs products, which are described separately for individual products.
• The most valuable change for our client base to date: now it's possible to create links for "To-And-From" mode without adding any new fields to ISIS database. Corporate clients, especially those who do not or cannot change anything in their remote corporate databases, have communicated this need to us, and we were listening. The new "easy link" allows ISIS users to examine ACD/Labs predictions almost instantly. Of course, such a link cannot store the calculation results, but it is often the case that you do not want to store the results, only access the predictions, to see if a value is reasonable.
• Now you can search through ChemFolder databases.
• You can search through SpecManager databases, both regular ("flat") and SQL.
• You can also search through ChromManager databases.
• The LogP link now supports Lipinski's "Rule of 5":