BIOVIAScientific Informatics
Chemistry
This course focuses on various components in the Pipeline Pilot Chemistry Collection. The components are reviewed by examining their parameters and how to use them. Exercises throughout the course demonstrate various uses of the collection such as physical property calculation, library enumeration, clustering, SAR analysis, and MCSS. These functionalities can be used to build protocols; triage screening results; generate, evaluate, and prioritize synthetic targets; and many other useful applications. Upon completion of the workshop, students will be able to modify and create complex protocols utilizing Pipeline Pilot’s wide variety of scientific functionality.
- Level
- Fundamental
- Length
- 8 hours
- Product
- Pipeline Pilot
- Delivery
- Instructor-led
Topics covered
- Calculating molecular properties
- Manipulating molecules
- Calculating molecular fingerprints
- Substructure searching and similarity
- Enumerating molecules (and create SAR table)
- Cluster molecules
- Maximal common substructure
Prerequisites
Pipeline Pilot Fundamentals, PilotScript
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