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A Robust Clustering Method for Chemical Structures

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What this work says

Outgoing claims: the papers this work cites, builds on, or argues with.

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Clustering Methods and Their Uses in Computational Chemistry
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A ring-based chemical structural query system: use of a novel ring-complexity heuristic
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Reoptimization of MDL Keys for Use in Drug Discovery
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Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
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Clustering of Large Databases of Compounds: Using the MDL “Keys” as Structural Descriptors
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A Method for Visualizing Recurrent Topological Substructures in Sets of Active Molecules
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Detailed Analysis of Scoring Functions for Virtual Screening
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Finding Discriminating Structural Features by Reassembling Common Building Blocks
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Remark on Algorithm 323: Generation of Permutations in Lexicographic Order [G6]

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Additional file 1 of “Molecular Anatomy”: a new multi-dimensional hierarchical scaffold analysis tool
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