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URL:https://www.learndesk.us/class/5343086307704832/lesson/9ca4bfc3e363d6c45feddcb5216b1e19?ref=outlook-calendar
SUMMARY:UNIT 13
DTSTART;TZID=America/Los_Angeles:20260501T190000
DTEND;TZID=America/Los_Angeles:20260501T200000
LOCATION:https://www.learndesk.us/class/5343086307704832/lesson/9ca4bfc3e363d6c45feddcb5216b1e19?ref=outlook-calendar
DESCRIPTION: The simplified molecular-input line-entry system (SMILES) is a method of line notation which can be used in Cheminformatics to represent the structure of chemical species structure on the computer. This can then be used by molecular editing programs which convert the SMILES strings back into 2-dimensional or 3-dimensional models of molecules. SMILES strings represent atoms by their standard element abbreviation in square brackets, however there are a number of common circumstances listed below in which atom brackets and attached hydrogen’s may be omitted: ‘Organic subset’ of B, C, N, O, P, S, F, Cl, Br, or I Have no formal charge The number of hydrogens attached is implied by normal valence rules Are normal isotopes Are not chiral centres (if stereochemistry is being represented in the string) Within these brackets, any atomic charges are also written. In linear molecules, bonds are assumed to be single (-) unless otherwise specified within the SMILES string. Double, triple, and...

https://www.learndesk.us/class/5343086307704832/lesson/9ca4bfc3e363d6c45feddcb5216b1e19?ref=outlook-calendar
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