Combinatorial Computational Chemistry

Combinatorial chemistry

Combinatorial chemistry, which did not even exist fifteen years ago, is a new subfield of chemistry that is starting to provide insights into molecular interactions, biochemical catalysis and drug development. Instead of finding and testing naturally existing compounds for useful activity, the basic aim of combinatorial chemistry studies is to create vast numbers of new, synthetic compounds and...

Combinatorial chemistry.

Concepts of Combinatorial Chemistry and Combinatorial Technologies

Combinatorial Chemistry and Combinatorial Technology (CC/CT) are a new interdisciplinary field joining computerassisted combinatorial chemistry with automated parallel synthesis of chemical ìlibrariesî followed by automated screening. The main purpose of computer assisted combinatorial chemistry is to generate thousands structurally diverse compounds as libraries, maximising their diversity, wh...

Computational chemistry

Computational chemistry has come of age. With significant strides in computer hardware and software over the last few decades, computational chemistry has achieved full partnership with theory and experiment as a tool for understanding and predicting the behavior of a broad range of chemical, physical, and biological phenomena. The Nobel Prize award to John Pople and Walter Kohn in 1998 highlig...

Encoding strategies in combinatorial chemistry.

To Pasteur’s famous dictum, ‘‘Chance favors the prepared mind,’’ could arguably be added the corollary, ‘‘As the number of chances increases, so increases the effect of favor.’’ It is nearly a truism that a great many important discoveries in chemistry originated not from careful design, but from astute observations of unintended experiments. Suppose, then, that creativity were applied to the t...