2023 Autumn 2022 Autumn 2021 Autumn 2020 Autumn 2019 Autumn 2019 Spring 2018 Autumn 2017 Spring 2016 Spring 2014 Autumn
Show the courses of study containg this course Se overgangsordninger
Dansk English

DM840: Algorithms in Chemoinformatics (10 ECTS)

STADS: 15015401

Level
Master's level course

Teaching period
The course is offered in the autumn semester.

Teacher responsible
Email: daniel@imada.sdu.dk

Timetable
Group Type Day Time Classroom Weeks Comment
Common I Monday 14-16 IMADA Seminarrum 36,37,38,39,40,41,43,44,45,46,47,48,49,50,51
Common I Tuesday 12-14 IMADA Seminarrum 38,40,43,45,47,49
Common I Thursday 10-12 IMADA Seminarrum 36,37,38,39,40,41,43,44,45,46,48,49,50,51
Common I Thursday 10-12 U145 43
Common I Thursday 10-12 U71 44
Common I Thursday 10-12 Spørg underviseren 47,47
Show entire timetable
 Show personal time table for this course.

Comment:
Ubegrænset deltagerantal.

Prerequisites:
None

Academic preconditions:
DM508 Algorithms and Complexity, DM545 Linear and integer programming, DM517 Computability and MM505 Linear algebra should be known.

Course introduction
Chemoinformatics (or Cheminformatics) is a field of research that
combines methods from computer science and chemistry with the aim of
solving chemical problems efficiently. The course will provide the
necessary theoretical background and algorithms to solve such
problems. The participants will learn how to apply the methods in
order to study complex interactions in chemical and biological systems
and to discover new emerging properties arising from the systemic
viewpoint.

Expected learning outcome
At the end of the course the student should be able to

  • apply and explain methods, models, and algorithmic ideas covered in the course,
  • formulate the above in precise language and notation,
  • implement algorithms and data structures from the course,
  • describe the implementation and experimental work done in clear and precise language, and in a structured fashion.
Subject overview
  • Representation of Molecular Structures
  • Structure Descriptors
  • Graph Isomorphism
  • Pólya's Counting Theory
  • Artificial Chemistries
  • Graph Grammars
  • Stoichiometric Models
  • Metabolic Networks and Metabolic Pathways
  • Flux Balance Analysis
  • Organization Theory
  • Petrinets
Literature
    Meddeles ved kursets start.


Website
This course uses e-learn (blackboard).

Prerequisites for participating in the exam
None

Assessment and marking:
  1. Mandatory assignments. Evaluated internal by the teacher on a pass/fail basis.(15015412)
  2. Oral exam. Evaluated by external censorship by the danish 7-mark scale (10 ECTS). (15015402)
Expected working hours
The teaching method is based on three phase model.
Intro phase: 42 hours
Skills training phase: 28 hours, hereof:
 - Tutorials: 28 hours

Educational activities

Language
This course is taught in Danish or English, depending on the lecturer. However, if international students participate, the teaching language will always be English.

Remarks
It is required that the manatory assignments are approved in order to
take the oral examination. The assignment are valid until the
reexamination and cannot be carried through to the following year

Course enrollment
See deadline of enrolment.

Tuition fees for single courses
See fees for single courses.