Large numbers of compounds, often more than 50, in secretions of the preorbital and pedal glands of antelope and the urine of many mammals appear to reflect the need for individual specificity.
Limitations on materials or time are often restrictive when screening large numbers of compounds.
The progress of combinatorial chemistry (the parallel synthesis of large numbers of compounds) and high-throughput screening (the parallel testing for bioactivity of large numbers of compounds) facilitated the exploration of extensive chemical spaces for chemicals with desirable properties.
By the first decades of the 19th century, the nascent sub-discipline of organic chemistry began identifying and synthesizing ever increasing numbers of compounds (Klein, 2003).
New lab techniques, increased numbers of compounds to screen, and expanding toxicology and environmental programmes are other reasons for companies to hire extra scientists.
While experienced chemists are able to estimate synthetic accessibility of individual compounds, performing this estimation for large numbers of compounds requires computational methods.
The total numbers of compounds interacting with the 20 transporters and 13 CYPs are 3,307 and 212 respectively; these were compiled from 1,211 publications.
For practical testing of large numbers of compounds in complex systems, the organ-on-a-chip is on the horizon [105].
The articles should have enough cases of systematic names, common or generic names of compounds and drugs, trade names, identifiers, acronyms, reference numbers of compounds and even formulas.
The binned distribution for the complete Additional file 1 is given in Table 4. Table 3 Ranking of top-50 targets by numbers of compounds and documents.
The numbers of compounds containing a certain descriptor d, predicted to be active n act d and inactive n inact d, were calculated for each descriptor.
