Overcoming psychological barriers to good discovery decisions
Summary This article explores the psychological barriers and risks of cognitive biases to R&D decision-making. It contrasts current practice with…
It is a challenge to identify bioisosteric replacements that may be applicable to a chemistry of interest and assess the potential results of making a similar modification. In StarDrop, the BIOSTER module may be used in combination with Nova to automatically find and apply bioisosteric replacements and generate novel compound structures that are likely to preserve the required biological activities.
More details can be found in section 12.2 Creating Bioisosteric Transformations in the reference guide. You can find this from the Help->Reference Guide menu option in StarDrop.
Wagener and Lommerse (Wagener & Lommerse, 2006) attempted to extract bioisosteric substructures automatically from the BIOSTER database by fragmenting the molecules and removing identical fragments from both sides, but the different substituents on each side meant that they were only able to successfully do this for about 14% of the records in the database.
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