Drew, Kurt L. M. published the artcileSize estimation of chemical space: how big is it?, Safety of Diatrizoic Acid, the main research area is drug chem space size estimation.
To estimate the size of organic chem. space and its sub-regions, i.e. drug-like chem. space and known drug space (KDS), anal. of the growth of organic compounds as a function of their carbon atoms based on a power function (f(x) = A × B, C = x) and an exponential function (f(x) = AeBx) was carried out. Also, the statistical distribution of KDS and drug-like chem. space (drugs with good oral-bioavailability) based on their carbon atom count was used to deduce their size. Key findings The power function (f(x) = A × B, C = x) gives a superior fit to the growth of organic compounds leading to an estimate of 3.4 × 109 populating chem. space. KDS is predicted to be 2.0 × 106 mols. and drug-like chem. space is calculated to be 1.1 × 106 compounds The results showed that the values here are much smaller than previously reported. However, the numbers are large but not astronomical. A clear rationale on how we reach these numbers is given, which hopefully will lead to more refined predictions.
Journal of Pharmacy and Pharmacology published new progress about Computer program. 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Safety of Diatrizoic Acid.
Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem