Compound design is one of the major tasks for computational approaches in medicinal chemistry. The primary aim is the generation of compounds with desired properties, first and foremost, compounds ...

Browse the complete list of chemical compound collections available at HTB, ranging from broad diversity libraries to focused sets tailored for specific pathways, targets, and disease areas. 12 New ...

A search of broader range of chemical space is important for drug discovery. Different methods of computer-aided drug discovery (CADD) are known to propose compounds in different chemical spaces as ...