Simulation of Organic Reactions: From the Degradation of Chemicals to Combinatorial Synthesis. - Robert Höllering; Johann Gasteiger; Larissa Steinhauer; Klaus-Peter Schulz; Achim Herwig (J. Chem. Inf. Comput. Sci., 2000)

Second-generation de novo design: a view from a medicinal chemist perspective. - Andrea Zaliani; Krisztina Boda; Thomas Seidel; Achim Herwig; Christof H. Schwab; Johann Gasteiger; Holger Claussen 002; Christian Lemmen; Jörg Degen; Juri Pärn; Matthias Rarey (J. Comput. Aided Mol. Des., 2009)