Molecular Conceptor

The Molecular Conceptor Learning Series, produced by Synergix Ltd, is an interactive computer-based learning suite that teaches the principles and techniques used in everyday drug discovery. The Molecular Conceptor Learning Series comprises five modules each of which are designed to give students and professionals in the drug discovery field the comprehensive training necessary to face even the toughest drug design challenges. The modules are:

The Molecular Conceptor Learning Series presents the fundamental topics surrounding computer-aided drug design from basic principles to more in-depth examination and using interactive 3D technology, practical examples and many case studies, the concepts, methodologies and techniques used in drug discovery are brought to life.[2]

International experts in the field of drug discovery have shared their skills, knowledge and experiences, and allowed the Synergix Ltd team to create The Molecular Conceptor Learning Series, an elearning[3] tool that provides both students and professionals of the life sciences sector with the day-to-day knowledge and skills required to make an impact on modern drug discovery.

The concept

The concept behind the Molecular Conceptor Learning Series aims to bring together, in a ready-digested format, the necessary knowledge surrounding the skills, techniques and approaches used by the drug discovery team as a whole. It provides all the information needed by the medicinal chemist to allow him to analyze, understand and make informed decisions concerning the design of a drug, thus enabling them to contribute effectively to the drug discovery process.


The full Molecular Conceptor Learning Series can be broken down into 10 main volumes, which are broken down into a number of chapters, each of which tackles a different aspect of drug design. The 10 volumes are as follows:

  • Drug Discovery
  • Analog Design and Molecular Mimicry
  • Synthesis and Library Design
  • Protein Structure and Modeling
  • Structure-Based Design
  • Cheminformatics
  • Ligand-Based Design
  • QSAR and Chemometrics
  • Molecular Basis of Drugs
  • Peptidomimetics
  • General Topics

Molecular Conceptor, Version 1,[4][5] was first released in December 2001 with 600 pages. Since then the software has developed and grown and in Oct 2010, Version 2.14 was released with more than 5000 pages.


  1. Molecular ConceptorTM for Training in Medicinal Chemistry, Drug Design, and Cheminformatics. Chemical Biology & Drug Design, January 2007, Vol. 69 Issue 1 pp7582
  2. Database of Case Studies in Drug Discovery,Chemical Biology & Drug Design, February 2006, Vol. 67 Issue 2 pp182–183
  3. E-Learning für Wirkstoffdesign (Molecular Conceptor), Chemie und Computer, Nachr. Chem. 2006, 54, 993
  4. Molecular ConceptorTM Software Review, Crystal Growth & Design 2002, 2, 677678
  5. Molecular ConceptorTM Software Review, Journal of Medicinal Chemistry 2003, 46, 880881
  1. Molecular Conceptor Learning Series Website
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