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About Molecular Discovery

Molecular Discovery was established in 1984 to provide the GRID software to scientists working on the field of Drug Design. Today Molecular Discovery is upgrading, designing and distributing a variety of scientific software for all the pharmaceutical research fields. All the products are based on the GRID force field, which is used in connection with experimental design and multivariate analysis tools to transform information into knowledge.

The main field of application is drug discovery, property design and prediction by merging molecular modelling techniques and QSPR methods into 3D-QSPR models. The same strategies can also be used in virtual screening, ADME prediction and profile and prediction of human drug metabolism, where selection or priorisation of candidates is required from large collections of compounds to minimise drug failures.


Molecular Discovery offers training courses on all MD programmes either in MD's or at the customers site. Workshops and seminars on Drug Design methodologies, DMPK prediction and QSPR are also offered upon request. Please contact MD for pricing and availability.


We also offer consulting agreements in research areas related with chemometrics and drug discovery. The agreement can involve or not the development of scientific software with limited exclusive rights. We accept a very limited number of such collaborations each year, so please contact us as soon as possible.

Current staffers

Scientific Development Team

  • Massimo Baroni
  • Paolo Benedetti
  • Simon Cross
  • Gianluca Sforna
  • Gabriele Menna
  • Fabrizio Buratta
  • Luca Morettoni
  • Lydia Siragusa
  • Nadia Zara

Scientific Advisory Board & External Collaborators

  • Prof Gabriele Cruciani
  • Dr Loriano Storchi
  • Dr Ismael Zamora
  • Dr Emanuele Carosati
  • Dr Laura Goracci
  • Dr Francesca Spyrakis

Molecular Discovery

Legal address

c/o Sobell Rhodes LLP
The Kinetic Centre, Theobald Street, Elstree
Borehamwood, Hertfordshire WD6 4PJ
VAT number: GB 805751728

Phone numbers

Tel: +44(0)20-34114340
Fax: +44(0)20-36270257