, Volume 359, Issue 1, pp 23-32

MOLecular structure GENeration with MOLGEN, new features and future developments

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Abstract

 MOLGEN is a computer program system which is designed for generating molecular graphs fast, redundancy free and exhaustively. In the present paper we describe its basic features, new features of the current release MOLGEN 3.5, and future developments which provide considerable improvements and extensions.

Received: 12 November 1996/Revised: 24 February 1997/Accepted: 26 February 1997