AI-Driven Chemical Enumeration
Workshop Overview
- Combinatorial Chemistry:
- Library Generation
- Reaction Space Exploration:
- Reaction Enumeration Algorithms: Develop computational tools to enumerate all possible reactions between given sets of reactants based on known reaction rules.
- Reaction Network Analysis: Mapping and analyzing complex reaction networks generated by enumerating possible reaction pathways.
- Virtual Chemical Libraries:
- In Silico Enumeration
- Virtual Screening of Drug Candidates
- Retrosynthesis and Pathway Enumeration:
- Retrosynthetic Analysis
- Automated Pathway Generation
- Data-Driven Enumeration:
- Machine Learning and AI for Enumeration
- Data Mining in Chemical Databases
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Duration: one week.
3-4 hours to complete.
- Level: Basic introductory and advanced applications .
- Prerequisite: Organic Chemistry background is required. A Computer Science background is preferred but not mandatory.
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Fee: 2000 EGP
Discount Policy for Group Registration!
- Program timeframe:
- Registration
- Be contacted to confirm the participation.
- Scheduling for the program sessions
- Supplied with the technical support to download the software required for the program.