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International School of Chemometrics 2021 - METABO - Metabolomics Data Analysis
Provider: Faculty of Science

Activity no.: 5328-21-04-28 
Enrollment deadline: 07/05/2021
PlaceDepartment of Food Science
Date and time30.06.2021, at: 00:00 - 01.07.2021, at: 16:00
Regular seats40
Activity Prices:
  - University staff/Non-profit600.00 kr.
  - Industry/For-profit1,500.00 kr.
ECTS credits1.00
Contact personHenriette Hansen    E-mail address: henha@food.ku.dk
Enrolment Handling/Course OrganiserRasmus Bro    E-mail address: rb@food.ku.dk
Written languageEnglish
Teaching languageEnglish
Scheme groupNot included in the scheme group
Exam formCourse Participation; Written Assignment
Exam aidsAll aids allowed
Grading scalePassed / Not passed
Course workload
Course workload categoryHours
Class Exercises3.00
Report writing5.00


Aim and content

METABO - Metabolomics Data Analysis (A part of the International School of Chemometrics 2021)

The seminar will start with introducing various pre-processing techniques suitable for various –omics data. The problems of noise, baseline removal, alignment and normalization will be discussed using several examples. The seminar will follow on presenting several machine learning ensemble techniques, such as unsupervised random forest, random forest, gradient boosting trees and the principle of non-linear bi-plots. The theoretical background of these techniques will be provided, accompanied by several real-life data examples. The seminar will summarise by introducing the theory and application principle of ensemble stacking.

Previous knowledge needed: Basic knowledge of PCA and multivariate regression and classification methods
Software: Matlab and git
Teacher: Agnieszka Smolinska

International School of Chemometrics 2021

The “International School of Chemometrics (ISC) – 2021” is a six-week PhD school specifically aimed at people having acquired some basic understanding of chemometrics. ISC will be offered at practitioner level.

“ISC – 2021” is addressed to PhD students/post-docs, associate professors, etc. who want to acquire further knowledge on advanced multivariate data analysis from different disciplines (Chemistry, Physics, Food Science, Biology, Geology, Environmental Sciences, etc.). “ISC – Challenges” also addresses companies or research laboratories who want to implement advanced multivariate data analysis in their daily research environment.

There is the possibility of attending the School via online and being granted with the corresponding ECTS

ISC – 2021 aims at being a platform for:

- Learning data analysis methods. ISC – Challenges is specifically designed for researchers who want to acquire extra knowledge on multivariate data analysis and adapt it in their routine work.

- Sharing knowledge and interchange of ideas between students covering different scientific backgrounds. One of the key points of the course is the interaction between the students and troubleshooting - always within the framework of scientific data analysis and performance.

- Meeting world-wide recognized experts of Multivariate Data Analysis in an open discussion forum environment. ISC - Challenges will count with teachers that are well-recognized experts on chemometrics and multivariate data analysis in their respective fields.

This, at the same time, will offer the possibility of opening new collaborative frameworks between students and teachers. The students enrolling will have the opportunity of choosing the seminars that they consider most relevant, without the obligation of attending a minimum amount of seminars.

Seminars and dates:

Each seminar is independent and the registration is individual. The students can choose to attend the seminars which they consider more relevant for their research. There is no minimum of seminars that the student must attend. In total, attending the whole school, one student can obtain up to 12 ECTS credits.

- MATLAB: Introduction to Matlab for Multivariate Data Analysis. 5 Days. 2.5 ECTS. From the 31st of May until the 4th of June, 2021. From 9 am until 4 pm (CET) with 1-hour lunch break (30 hours).

- BASIC: This seminar includes 2 parts. EXPLORE and CLASS. Basic introduction to Chemometrics. Data types, PCA, pre-processing, Multivariate Regression, Multivariate Classification. 5 days. 2.5 ECTS. From the 7th until the 11th of June, 2021. From 9 am until 4 pm (CET) with 1-hour lunch break (30 hours).

- INTERMEDIATE: This seminar includes 3 parts. VARSEL (variable selection methods), LINAL (Linear Algebra) and NONLIN (non-linear modelling). 5 days. 2.5 ECTS. From the 14th until the 18th of June, 2021. From 9 am until 4 pm (CET) with 1-hour lunch break (30 hours).

- CHALLENGES: This seminar includes 3 parts. MULTIWAY (Multi-way data analysis), FUSION (data fusion) and ERROR (Multivariate Error estimation). 5 days. 2.5 ECTS. From the 21st until the 25th of June, 2021. From 9 am until 4 pm (CET) with 1-hour lunch break (30 hours).

- MCR: Multivariate Curve Resolution. 2 days. 1 ECTS. From the 28th until the 29th of June, 2021. From 9 am until 4 pm (CET) with 1-hour lunch break (12 hours).

- QSAR: Quantitative Structure-Activity Relationship. 2 days. 1 ECTS. From the 28th until the 29th of June, 2021. From 9 am until 4 pm (CET) with 1-hour lunch break (12 hours).

- MSPC: Multivariate Process Control. 2 days. 1 ECTS. From the 30th of June until the 1st of July, 2021. From 9 am until 4 pm (CET) with 1-hour lunch break (12 hours).

- METABO: Metabolomics Data Analysis. 2 days. 1 ECTS. From the 30th of June until the 1st of July, 2021. From 9 am until 4 pm (CET) with 1-hour lunch break (12 hours).

- GLUE: How NOT to Make Chemometrics. 0.5 days. No ECTS. 2nd of July, 2021. From 9 am until 12 pm (CET) (3 hours).

Further information:
e-mail of ISC (ischemometricshelp@gmail.com)

Learning outcome
The intended learning outcomes are divided into two categories:

1) Individual learning outcomes: the main target for each individual seminar is to learn the basis of one data analysis method focused on several proposed examples. The students have to be able to apply the acquired knowledge to any problem related to their own research.

2) Global learning outcomes: Students attending all the seminars will, at the end of the course, be able to understand the structure of a vast amount of data structures and also to understand the problems derived from the data. Moreover, they will be independent in the application of solutions to their problems in a dedicated manner.

The price for participating is as follows (same price for online and physically present):

Academia: DKK 600 per ECTS
Industry: DKK 1500 per ECTS

Payment must be completed before the course starts. Information on the method of payment will be provided after confirmation of registration.

There is the possibility of attending the School via online and being granted with the corresponding ECTS

All seminars include all the material that the student might need:
- Slides of the course (pdf)
- Exercises
- Datasets
- Toolboxes
- Refreshment during the lessons (coffee, tea, candies, cookies, and other amenities). This, of course, if we are allowed due to the COVID-19 pandemic situation
- Unlimited off-line access to the videos of the lessons until the end of 2021
- We do NOT provide: Matlab and lunch

ISC-2021 will offer TWO grants for students. The grant will cover the subscription fee for all the seminars. In order to apply for the grant, you need to send two documents to :

1) A paper that certifies that you are a student at any level (BSc, MSc or PhD student).
2) One page describing why you need to be at the School. How the School can be helpful in your research Times New Roman, 11 pt. with 1.5 line space).
The selection committee will be formed by Prof. Rasmus Bro and Prof. José Manuel Amigo. The announcement will be made no later than the end of April 2021.

Best Poster Award for physically present attendants
In order to foment collaboration between us and interchange ideas, CSC-2021 will include different poster sessions. Therefore, I would like to invite you to submit an abstract to the school. The abstract and poster are intended to promote the interchange of ideas between us, students and teachers.

The work does NOT NEED to be original. It can be original or it could have been presented in another conference. It can perfectly be an abstract that expresses your worries or doubts about an experiment that you want to perform.

1) The abstract:
- It should not be longer than 2 A4 pages, including figures, tables and references.
- The language must be English and formatted in Times New Roman, 11 pt. with 1.5 line space.
- It must be submitted in pdf

2) The poster:
- It must be in A3 size. I know that this is not a normal size for a poster. Nevertheless, we have very limited extra space.

Best poster award: The best poster will be chosen among the participants. The winner will receive a diploma and an award (a good one :). Depending on the number of posters presented, there might be one or two runner-ups. They will receive a diploma and some other surprises.

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