Center for Infectious Disease and Vector Research

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Bioinformatics Workshop: Cheminformatics in R for Analyzing Chemical Genomics High-Throughput Screens

Tyler Backman & Thomas Girke

Monday, December 10, 2012
10 a.m.1 p.m.


Genomics Building , Genomics Auditorium, RM 1102A
Parking Information


Description: This workshop introduces various R packages useful for analyzing drug-like compound and screening data sets. This includes the packages ChemmineR, fmcsR, eiR and bioassayR. Efficient R functions will be introduced for handling/analyzing SDF/MOL files, interfacing with PubChem, structural similarity searching, clustering of compound libraries with a wide spectrum of algorithms and utilities for managing complex compound data sets. In addition, visualization functions for compound clusters and chemical structures will be introduced. The last part will cover the analysis of large publicly available high-throughput screening data sets like PubChem BioAssay. Basic knowledge of the R software, as introduced in the "Introduction to R" tutorial, will be expected in this workshop.  Manual for this workshop
Maximum number of participants: 40

How to sign up: send chosen workshop date, your name, email address, title of your position, lab affiliation (PI) and department information to thomas.girke@ucr.edu.

Registration fee*: no charge for participants from registered labs, $23 for UCR members, $75 for participants from external academic institutions, and $102 for participants from commercial institutions.

Laptop requirements: Participants will work during the course from their own laptops (Win, Mac or Linux). The laptops should have R, the required libraries and exercise data sets pre-installed. The installation instructions for the R software are provided on the installation page of the manual. A functional wireless connection is recommended, but not essential.

Additional Information:

Open to:

General Public



Institute for Integrative Genome Biology


Thomas Girke

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University of California, Riverside
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Institute of Integrative Genomics Biology
2150 Batchelor Hall

Tel: (951) 827-7177