Program organic synthesis

Chemistry, Organic—Synthesis—Programmed instruction. 1. Title. 

The memory capacity of a computer is also taxed by such an organic synthesis program. At present there is no attempt to retain the whole of the synthesis tree. This means we cannot do a breadth first search. If we could do a breadth first search the efficiency of the search would be improved as we would be guaranteed the shortest possible synthetic pathway. (In a depth first search we move from A down to Bf down to C", let us say and so forth. In a breadth first search one generates all the B s, then all the C s and so forth. Each of the searches terminates when an available substance is found. The depth first search is constrained in its depth by an instruction from the... 

A new synthetic way, found by a computer-assisted organic synthesis program, to prepare... 

Rapid Generation of Reactants in Organic Synthesis Programs... 

Program systems for computer-assisted organic synthesis (CAOS) have been under development since the early 1970s [27]. The program systems for computer-assisted synthesis planning can be subdivided into two groups information-oriented and logic-oriented systems [28]. 

Just as a researcher will perform a literature synthesis for a compound, there are computer programs for determining a synthesis route. These programs have a number of names, among them synthesis design systems (SDS) or computer-aided organic synthesis (CAOS) or several other names. 

CAOS (computer aided organic synthesis) a program for predicting a synthesis route... 

Synthesis design and reaction prediction can draw benefits from all these features of a computer. Our own work in this area began in 1974, and in 1978 the computer program system EROS (Elaboration of Reactions for Organic Synthesis) was first presented 6. Since then, several reports on certain aspects of the system development have appeared, but sometimes in less easily available journals or books7. Moreover, there has been no description of the overall system as it now stands. This article is intended to rectify this situation. 

Hladka, E., Koca, J., Kratochvil, M., Kvasnicka, V., Matyska, L., Pospichal, J. and Potucek, V. The Synthon Model and the Program PEGAS for Computer Assisted Organic Synthesis. 166, 121-197 (1993). 

In 1993, we began to incorporate catalytic RCM into a select number of our programs in reaction development and enantioselective organic synthesis. In... 

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