How does Optibrium protect customer data?
The age of data The internet has transformed the way the world does business. As hardware and software have evolved,…
To compare chemical structures, we can look at a number of 2D and 3D characteristics. In this paper, a group of 358 drugs with overlapping pharmacology were assessed for chemical similarity, using a new framework.
The method generates a chemical similarity score for new molecules based on a known set of molecules with a shared effect. For prediction of primary targets, the benefit of 3D over 2D was relatively small, but for prediction of off-targets, the added benefit was large.
Emmanuel R. Yera et al., J. Med. Chem. 2011, 54, 19, 6771–6785.
The age of data The internet has transformed the way the world does business. As hardware and software have evolved,…
When are open-source drug discovery solutions a good fit? We should first clarify that when we’re speaking about open-source tools,…
What are parameters in machine learning models? The regular (non-hyper) parameters of an ML model are the numbers that it…