3DGEN: A system for exhaustive 3D molecular design proceeding from molecular topology

@article{Ivanov19943DGENAS,
  title={3DGEN: A system for exhaustive 3D molecular design proceeding from molecular topology},
  author={Julian M. Ivanov and Stoyan Karabunarliev and Ovanes G. Mekenyan},
  journal={Journal of Chemical Information and Computer Sciences},
  year={1994},
  volume={34},
  pages={234-243}
}
A new combinatorial approach to 3D molecular design is presented. Proceeding from atom-atom connectivity augmented by the type of atoms and multiplicity of chemical bonds, it provides an exhaustive generation of all stereoisomers, enantiomers, and conformers, corresponding to the given molecular topochemistry. The core of the system is the so called idea of… CONTINUE READING