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Assessment of Molecular Similarity from the Analysis of Randomly Generated Structural Fragment Populations.

✍ Scribed by Jose Batista; Jeffrey W. Godden; Juergen Bajorath


Publisher
John Wiley and Sons
Year
2006
Weight
8 KB
Volume
37
Category
Article
ISSN
0931-7597

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## Abstract In molecular docking, it is challenging to develop a scoring function that is accurate to conduct high‐throughput screenings. Most scoring functions implemented in popular docking software packages were developed with many approximations for computational efficiency, which sacrifices th