The renowned BIOSTER™ database is a unique compilation of bioanalogous molecule pairs (including drugs, agrochemicals, enzyme-inhibitors, pro-drugs etc.), curated and developed over many years under the expert guidance of Dr István Ujváry, formerly at The Hungarian Academy of Sciences and now at iKem BT.  

The database provides essential information to enable researchers discover new active compounds based on the tried & trusted principle of isosterism; alternatively it can be used to provide literature validation for compound analogs. Version 12.1, comprising almost 26,000 'bioisosteric transformations' (representing over 35,000 bioactive molecules), is now available exclusively from Digital Chemistry, with updates scheduled annually.

The database can be supplied in ISIS™/Host format or as RDfiles, for importing into your preferred search system, but please enquire about alternative options. The possibilty of providing the data in SMIRKS format, ready for incorporation into predictive tools, is currently under consideration.

• Expert selection of bioanalogous compound pairs extracted from the primary literature and key reviews, covering biochemistry, medicinal chemistry, organic chemistry and pesticide chemistry;
• Includes selected publications up to around 1970 and a systematic survey since then;
• Compound pairs represented as hypothetical reactions (or 'bioisosteric transformations'), enabling compatibility with most reaction-searching software;
• Highlighted bond information used to facilitate searching for replaceable fragments;
• A small selection of the many useful publications relating to BIOSTER include:
  - Istvan Ujvary, Pestic. Sci., 1997, 51, pp 92-5
  - Ansgar Schuffenhauer et al., J. Chem. Inf. Comput. Sci. 2000, 40, pp 295-307
  - Markus Wagener et al., J. Chem. Inf. Model., 2006, 46, pp 677-85
  - K. Birchall et al., J. Chem. Inf. Model., 2009, 49 (6), pp 1330-46

If you would like to receive further information or to obtain a quotation, please click here or visit our Contact Us page for alternative contact details.

A PDF datasheet for the 12.1 release is available to download here.