Computational Chemistry

Sandexis uses proprietary algorithms to deliver cutting-edge computational chemistry design support:

  • Structure-based drug design, including docking
  • Chemoinformatic mining of ChEMBL and PDB e.g. landscape analysis, bioisostere generation
  • Virtual screening and file-mining approaches to identify novel hit matter
  • High-throughput screen analysis and triage
  • Pharmacophore generation and searching
  • Molecular overlays
  • Structure-activity relationships analysis and visualisation
  • Custom programming to meet specific needs of clients
Commercial Software
We have access to and are expert users of a number of pieces of commercial software:
  • CCDC suite including CSD and GOLD
  • ChemAxon suite, including IJC and MarvinBeans
  • RDKit
  • OpenBabel
  • Spotfire
  • SciFinder
and expertise in the use of software provided by:
  • Schrodinger
  • OpenEye
  • Daylight
  • Accelrys, including Pipeline Pilot
  • Dotmatics, including Vortex

LinkedIn  Sandexis Medicinal Chemistry Ltd 2015
Company No. 07767700
Postal address: Innovation House, Discovery Park, Ramsgate Road, Sandwich, Kent, CT13 9ND, UK
Business registered address: 45 Queen Street, Deal, Kent, CT14 6EY, UK