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Cheminformatics

Last updated

Feb 1, 2020
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- Intercollegiate Courses
- 1: Introduction

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Greetings, welcome to the homepage of the Fall 2019 Cheminformatics OLCC.

1: Introduction
Greetings, welcome to the homepage of the Fall 2019 Cheminformatics OLCC. This course is sponsored by the ACS Division of Chemical Education's Committee on Computers in Chemical Education. This course is designed for either graduate students, or upper division undergraduate students. In this course students will lean how molecules are represented on computers, and use PubChem to learn some basic coding to access information through a variety of APIs.
2: Representing Small Molecules on Computers
3: Database Resources in Cheminformatics
This chapter will build on the topics introduced in section 3 of chapter 1 for this text through applications involving databases. The first few sections will cover the basics of using a simple database which will then be applied to the rest of the chapter by showing how this can be used when working with public chemical databases.
4: Searching Databases for Chemical Information
5: Quantitative Structure Property Relationships
6: Molecular Similarity
7: Computer-Aided Drug Discovery and Design
8: Machine-learning Basics
Front Matter
Back Matter

Please contact Bob Belford (rebelford@ualr.edu) if you are interested in learning more

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