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It:intro

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Chemical Information Technology 2010-2011

Chemistry Dept

Four Lecture Demonstrations by Henry Rzepa
with individual practical sessions using a Computer

Department of Chemistry, Imperial College London.
http://www.ch.ic.ac.uk/wiki/index.php/It:intro

Pentahelicene

Checklist of items

  • Location and time of Lectures and demonstrations: Thursday 7th October (09:00-10:00 and again at 14.00-14.45) in the Pippard, and then Friday 8th October (14.00-15.00), and Friday 15th October (10.00-11.00 and again 12.00-13.00) all in Pippard Theatre.
  • Relevance of this course: As of October, 2010, there were:
    • 55,474,701 organic and inorganic molecules and substances
    • and 62,115,210 biological sequences,
    • undertaking 40,036,030 described reactions, and
    • for which there are >2 billion reported experimental properties
    • described in >1 million scientific articles, 250,000 patents and 4500 books being published each year
    • across 10,000 chemistry journals and databases
  • Learning how to find the needle-in-the-haystack is an essential for any chemist!
  • Login-IDs: You will require your local id, i.e. the one you use for e-mail and which you have just been issued with. 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 8.0 (Windows only).
  • Structure of the Course:
IT Relevant to Lecture Courses, Tutorials and Set Projects
  1. Managing your computer desktop and your location
  2. Accessing lecture notes and scientific journals
  3. Bibliographic searches using Scientific databases
  4. Using Microsoft Office with Bibliographic citation software
IT Relevant to Laboratories and Reports
  1. MSDS Safety sheets
  2. Property based searches
  3. Using ChemDraw (+similar) for 2D Structure based searches
  4. 3D Structure-based searches and Molecular Biology
  • Lab Slots: You will be allocated one of four groups ( Groups A1, A2, B1, B2). Labs take place on Monday and Thursdays , with two 3hr sessions per student.
    • Group A1 has a lab in room 135 on Thursday 14 Oct, 4th Nov., 14.00-17.00.
    • Group B1 has a lab in room 135 on Monday 11 Oct and 1 Nov., 14.00-17.00
    • Group A2 has a lab in room 135 on Thursday 21 Oct, 18 Nov ., 14.00-17.00
    • Group B2 has a lab in room 135 on Monday 18 Oct, 15 Nov., 14.00-17.00
  • Please feel free to use either the Computer room OR the study area on level 2 outside of these hours. 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. Two demonstrators will be present during your three sessions.
  • Lab coursework: You will be expected to work through the examples at your own pace; do not feel you have to complete everything in the scheduled sessions.

Go to Lectures, Go to Coursework