New software platforms come out faster than you can type "innovation." Whether it's faster fragment analysis for medicinal chemists or DNA sizing analysis for forensic scientists, these products will have you chomping at the "byte."rnBROOD from OpenEye Scientific Software is a tool for selecting bioisosteres in fragment analysis. Used by modelers and medicinal chemists for bioisosteric replacement, this common, decades-old technique is now easier, faster and more accurate. Using a pre-generated chemical fragment database, BROOD identifies molecular fragments with similar properties at over 100 per second. These fragments are identified by shape, chemistry, electrostatics and attachment-point geometry. BROOD is typically used for lead-hopping, patent breaking, property manipulation and patent protection by structure-activity relationship (SAR) expansion. The database includes over 500,000 fragments and offers customized database building. This software allows for 1-D, 2-D or 3-D query input with conformer generation and is able to generate 3-D overlays of each bioisosteric pair.
展开▼
