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This course is an introduction to the use of computers in chemistry, commonly referred to as cheminformatics. A number of aspects will be covered, with the aim of giving a firm basis to continue with research in cheminformatics in industry or academia. The broad application of data science to chemistry will facilitate careers in data science as well as more broad themes of technical support for research computing, and applied machine learning.

This course is an introduction to the use of computers in chemistry, commonly referred to as cheminformatics. A number of aspects will be covered, with the aim of giving a firm basis to continue with research in cheminformatics in industry or academia. The broad application of data science to chemistry will facilitate careers in data science as well as more broad themes of technical support for research computing, and applied machine learning.

The project involves approximately 600 hours of commitment including 14 weeks of full-time practically based research work.

This module requires students to produce a dissertation under the guidance of a supervisor extending the skills developed in the Advanced Practical module. The dissertation may take the form of a literature review or other extended written report, the production of a web page or podcast, or other agreed format.

The project involves approximately 600 hours of commitment including 14 weeks of full-time practical-based research work (ca. 450 hours). It commences with literature research and project planning, some of which has been performed in other modules previously, and this forms the basis of an assessed project plan (non contributory). An interim report due in August provides an assessed mechanism to build the necessary skills and knowledge to undertake the dissertation preparation (ca. 150 hours). After feedback on the interim report, an assessed formal presentation is made to the MSc cohort (generally late August time) and the dissertation is submitted in mid September.

The project involves approximately 600 hours of commitment including 14 weeks of full-time practical-based research work (ca. 450 hours). It commences with literature research and project planning, some of which has been performed in other modules previously, and this forms the basis of an assessed project plan (non contributory). An interim report due in August provides an assessed mechanism to build the necessary skills and knowledge to undertake the dissertation preparation (ca. 150 hours). After feedback on the interim report, an assessed formal presentation is made to the MSc cohort (generally late August time) and the dissertation is submitted in mid September.

This module seeks to provide students with the fundamentals of the chemistry that underpins the biological sciences.

Educational Aims: This module provides the student with the fundamental chemical principles necessary to understand the chemistry of biological systems. The module will cover two key areas. Firstly, it will provide an introduction to thermodynamics, electrochemistry and chemical kinetics in relation to biological systems. Secondly, it will provide an introduction to atomic and molecular structure leading to a description of the reactivity of the function groups and reaction mechanisms that are found in biological systems. It will provide an introduction to the role of metal ions in biology and an to the principles and application of spectroscopy.

Outline Syllabus:

The topics will be taught in two parallel strands with one hour lectures in each strand each week.
Strand 1 could be broadly identified as organic chemistry while strand 2 deals with physical Chemistry.

Semester 1:
1) Understand the principles underlying atomic and molecular structure (Strand 1)
2) Identification of functional groups and understand their reactivity (Strand 1)
3) Understand the properties of acids and bases and their use in buffers (Strand 1)
4) Concept of oxidation and reduction reactions and relation to bioenergy (Strand 2)
5) Basic concepts underpinning the thermodynamics of biological systems (Strand 2)
6) The thermodynamic properties of gases and solutions, including the concept of chemical potential (Strand 2)
7) Ligand binding to macromolecules (Strand 2)

Semester 2:
7) Ligand binding to macromolecules and allostery (Strand 2)
8) Reactions that underpin biological chemistry and reaction mechanisms (Strand 1)
9) Metal ions in Biology (Strand 1)
10) Reaction kinetics and enzyme mechanisms (Strand 2)
11) Application of spectroscopy to biomolecules (Strand 2)

Teaching and Learning Methods:
The module will be delivered through a combination of lectures supported by a series of weekly computer-based worksheets and a series of workshops. A help desk will support students completing the computer-based worksheets

This module seeks to provide students with the fundamentals of the chemistry that underpins the biological sciences.

Educational Aims: This module provides the student with the fundamental chemical principles necessary to understand the chemistry of biological systems. The module will cover two key areas. Firstly, it will provide an introduction to thermodynamics, electrochemistry and chemical kinetics in relation to biological systems. Secondly, it will provide an introduction to atomic and molecular structure leading to a description of the reactivity of the function groups and reaction mechanisms that are found in biological systems. It will provide an introduction to the role of metal ions in biology and an to the principles and application of spectroscopy.

Outline Syllabus:

The topics will be taught in two parallel strands with one hour lectures in each strand each week.
Strand 1 could be broadly identified as organic chemistry while strand 2 deals with physical Chemistry.

Semester 1:
1) Understand the principles underlying atomic and molecular structure (Strand 1)
2) Identification of functional groups and understand their reactivity (Strand 1)
3) Understand the properties of acids and bases and their use in buffers (Strand 1)
4) Concept of oxidation and reduction reactions and relation to bioenergy (Strand 2)
5) Basic concepts underpinning the thermodynamics of biological systems (Strand 2)
6) The thermodynamic properties of gases and solutions, including the concept of chemical potential (Strand 2)
7) Ligand binding to macromolecules (Strand 2)

Semester 2:
7) Ligand binding to macromolecules and allostery (Strand 2)
8) Reactions that underpin biological chemistry and reaction mechanisms (Strand 1)
9) Metal ions in Biology (Strand 1)
10) Reaction kinetics and enzyme mechanisms (Strand 2)
11) Application of spectroscopy to biomolecules (Strand 2)

Teaching and Learning Methods:
The module will be delivered through a combination of lectures supported by a series of weekly computer-based worksheets and a series of workshops. A help desk will support students completing the computer-based worksheets

This module seeks to provide students with the fundamentals of the chemistry that underpins the biological sciences.

Educational Aims: This module provides the student with the fundamental chemical principles necessary to understand the chemistry of biological systems. The module will cover two key areas. Firstly, it will provide an introduction to thermodynamics, electrochemistry and chemical kinetics in relation to biological systems. Secondly, it will provide an introduction to atomic and molecular structure leading to a description of the reactivity of the function groups and reaction mechanisms that are found in biological systems. It will provide an introduction to the role of metal ions in biology and an to the principles and application of spectroscopy.

Outline Syllabus:

The topics will be taught in two parallel strands with one hour lectures in each strand each week.
Strand 1 could be broadly identified as organic chemistry while strand 2 deals with physical Chemistry.

Semester 1:
1) Understand the principles underlying atomic and molecular structure (Strand 1)
2) Identification of functional groups and understand their reactivity (Strand 1)
3) Understand the properties of acids and bases and their use in buffers (Strand 1)
4) Concept of oxidation and reduction reactions and relation to bioenergy (Strand 2)
5) Basic concepts underpinning the thermodynamics of biological systems (Strand 2)
6) The thermodynamic properties of gases and solutions, including the concept of chemical potential (Strand 2)
7) Ligand binding to macromolecules (Strand 2)

Semester 2:
7) Ligand binding to macromolecules and allostery (Strand 2)
8) Reactions that underpin biological chemistry and reaction mechanisms (Strand 1)
9) Metal ions in Biology (Strand 1)
10) Reaction kinetics and enzyme mechanisms (Strand 2)
11) Application of spectroscopy to biomolecules (Strand 2)

Teaching and Learning Methods:
The module will be delivered through a combination of lectures supported by a series of weekly computer-based worksheets and a series of workshops. A help desk will support students completing the computer-based worksheets