Chemical Information Technology 2008-09

Four Lecture Demonstrations by Henry Rzepa
with individual practical sessions using a Computer
Department of Chemistry, Imperial College London.
https://www.ch.ic.ac.uk/wiki/index.php/It:intro2

Pentahelicene

Checklist of items

Location and time of Lectures and demonstrations: All in the Pippard, Friday 10th October (11.00-12.00), Monday 13th October (10.00-11.00), Tuesday 14th Oct (10.00-11.00) and Thursday 16th Oct (09.00-10.00).
Relevance of this course: As of October 10, 2008, there were:
1. 38,692,813 organic and inorganic substances
2. and 60,375,679 sequences,
3. undertaking 15,817,188 reactions, and
4. for which there are 1 billion reported experimental properties
5. described in about 1 million scientific articles being published each year
6. across 10,000 chemistry journals and databases
which makes chemistry one of the most data-rich subjects
Login-IDs: You will require your local id, i.e. the one you use for e-mail and which should have been issued in your first year. Please ensure that you have this id and its password available for laboratory sessions.
Presentation of Course: A set of Web Wiki pages linking access to chemical information sources. Some of these sources require pre-installed programs on the computer you are using, and a suitably configured Web Browser: we suggest using FireFox (on all platforms), one or two facilities may cause problems with Internet Explorer 6.0 (Windows only).
Structure of the Course:
1. Introduction to scientific journals, managing your computer desktop and using Microsoft Office/EndNote and ChemDraw
2. 1D Bibliographic searches
3. 2D chemical structure searches
4. 3D chemical structure searches and creating Wiki entries.
Lab Slots: These will be by arrangement with your organic tutors. These will normally occur on selected Wednesday mornings, but it depends on your tutor. Please feel free to also use either the Computer room OR the study area on level 2 outside of these sessions. The latter area is NOT formally reserved and any student can use it at any time for this purpose if a computer is free. Students doing course and study work always have priority over students using the computers for non-chemistry related uses. You will be expected to work through the examples at your own pace.

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