ChemAxon d76e6e95eb
16-12-2004 15:23:59
A review by Jeffrey W. Bode, U. California, of Reactor has been published in the Dec issue of J. Am. Chem. Soc.; (2004; 126(46); 15317-15317). Link to article: http://dx.doi.org/10.1021/ja040968l
Introductory paragraph
"Reactor is a powerful software engine for creating large database files of structures through virtual chemical reactions. It is not a chemical database but rather a flexible and powerful platform with multiple applications, particularly in combinatorial chemistry and drug discovery, for generating and analyzing large virtual libraries of chemical compounds. Importantly, the engine at the heart of this system “understands” modern organic chemistry, enabling it to produce chemically logical results from the union of two or more virtual classes of starting materials."
Regarding test results
"...Reactor quickly and correctly produced a library of all possible products. When challenged to predict the products of only electron-rich enals with electrondeficient aromatic aldehydes, Reactor did a fine job in most cases..."
Live (beta) demo implementation
Introductory paragraph
"Reactor is a powerful software engine for creating large database files of structures through virtual chemical reactions. It is not a chemical database but rather a flexible and powerful platform with multiple applications, particularly in combinatorial chemistry and drug discovery, for generating and analyzing large virtual libraries of chemical compounds. Importantly, the engine at the heart of this system “understands” modern organic chemistry, enabling it to produce chemically logical results from the union of two or more virtual classes of starting materials."
Regarding test results
"...Reactor quickly and correctly produced a library of all possible products. When challenged to predict the products of only electron-rich enals with electrondeficient aromatic aldehydes, Reactor did a fine job in most cases..."
Live (beta) demo implementation