Hash codes for the identification and classification of molecular structure elements

By Wolf-Dietrich Ihlenfeldt, J. Gasteiger. 1994

How researchers see this paper

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1. Sunghwan Kim
2. Evan E. Bolton
3. Stephen H. Bryant
4. Lianyi Han
5. Jie Chen
6. Bo Yu
7. Paul A. Thiessen
8. Siqian He

Citations in the corpus

• PubChem Substance and Compound databases (2015, methodology): “The mapping from substances to entries in the Compound database is made based on structural hash codes (19,20) calculated for the standardized structures.”
• Computational Methods in Drug Discovery (2014, methodology): “This information is then compressed to avoid redundancies (Ihlenfeldt and Gasteiger, 1994).”
• The Discrimination Power of Molecular Identification Numbers Revisited (2013, background): “A challenging problem when designing such structural descriptors for networks is to convert structural information into numbers or hashes uniquely [2, 8, 15, 14, 19, 21].”