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  • member
  • team
  • department
  • center
  • program_project
  • nrc
  • whocc
  • project
  • software
  • tool
  • patent
  • Administrative Staff
  • Assistant Professor
  • Associate Professor
  • Clinical Research Assistant
  • Full Professor
  • Graduate Student
  • Lab assistant
  • Non-permanent Researcher
  • Permanent Researcher
  • Pharmacist
  • PhD Student
  • Physician
  • Post-doc
  • Project Manager
  • Research Associate
  • Research Engineer
  • Retired scientist
  • Technician
  • Undergraduate Student
  • Veterinary
  • Visiting Scientist
  • Deputy Director of Center
  • Deputy Director of Department
  • Deputy Director of National Reference Center
  • Deputy Head of Facility
  • Director of Center
  • Director of Department
  • Director of Institute
  • Director of National Reference Center
  • Group Leader
  • Head of Facility
  • Head of Operations
  • Head of Structure
  • Honorary President of the Departement
  • Labex Coordinator
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Starting Date
02
Apr 2018
Ending Date
31
Jul 2018
Status
Ongoing
Members
6
Structures
4

About

This project aims at efficiently storing millions of unique molecular compounds along with some of their already calculated properties. The database named Chem-REST is able to deal with extensive sets of data: millions of compounds and several hundreds of molecular properties. The import of new data deals with the detection of molecule uniqueness to prevent data redundancy and with multiple sources of molecular compounds to keep track of their origin. The motivation for this project is the imperious necessity to store this precious chemical information and efficiently extract subsets of data with appropriate database queries. Such subsets are used by the Chemoinformatics and proteochemometrics group to carry out dedicated and tailored chemoinformatics analyses for different specific projects on and off campus.