Lipinski filtered, rdkit no charge/no radical, semantically filtered (no - or + in SELFIES), top n intervals molecules data. The intervals represent bins for SELFIES molecules length. Using only the t
What is the smallest protein? This is actually not such a simple question to answer, because there is no established consensus among scientists as to the definition of a protein. We describe here a de
The high-throughput molecular exploration and screening of organic electronic materials often starts with either a 'top-down' mining of existing repositories, or the 'bottom-up' assembly of fragments
Small molecules represent powerful tools to dissect physiological and pathological states of signaling pathways, yet require characterization through X-ray crystallography. This...
