Generate novel project ideas from real chemistry
The currently released Spark fragment databases are derived from multiple sources:
Spark fragment databases based on small molecule crystal structure data from the Crystallography Open Database (COD) and Cambridge Structural Database (CSD) are also available.
Spark’s database generator allows you to create your own databases of potential bioisosteres using three different fragmentation approaches:
Once formed, the fragments/reagents are conformationally searched, and the resulting conformations are stored in the database.