Two major ways in which this can be done are through fundamental groups, or more general homotopy theory, and through homology and cohomology groups. The fundamental groups give us basic information about the structure of a topological space; but they are often nonabelian and can be difficult to work with. The fundamental group of a (finite) simplicial complex does have a finite presentation.
Homology and cohomology groups, on the other hand, are abelian, and in many important cases finitely generated. Finitely generated abelian groups can be completely classified and are particularly easy to work with.
Beyond simplicial homology, one can use the differential structure of smooth manifolds via de Rham cohomology, or Cech or sheaf cohomology to investigate the solvability of differential equations defined on the manifold in question. De Rham showed that all of these approaches were interrelated and that the Betti numbers derived through simplicial homology were the same Betti numbers as those derived through De Rham cohomology. {That would be a compact oriented manifold then, to use Poincaré duality.)
In general, all constructions of algebraic topology are functorial: the notions of category, functor and natural transformation originated here. Fundamental groups, homology and cohomology groups are not only invariants of the underlying topological space, in the sense that two topological spaces which are homeomorphic have the same associated groups; a continuous mapping of spaces induces a group homomorphism on the associated groups, and these homomorphisms can be used to show non-existence (or, much more deeply, existence) of mappings.