ABSTRACT

The most general problem is to enumerate all possible isomers with a given molecular formula. From what was said above in the cases of restricted classes of isomers - which presented so many difficulties - it is clear that the general problem will be much more difficult. The only solution is to try to develop a computer program. This is exactly what Lederberg, Feigenbaum, Smith, Masinter, Sutherland and coworkers started to do in the 1960s [1,233,134,135].