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Scalable Partitioning and Exploration of Chemical Spaces Using Geometric Hashing

https://doi.org/10.1021/ci050403o
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What this work says

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

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Automatic estimation of ring strain energies
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Metric Validation and the Receptor-Relevant Subspace Concept
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Structural Determination of Paraffin Boiling Points
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Raman Spectra of Aqueous Solutions of Potassium Thiocyanate
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Fast Calculation of Molecular Polar Surface Area as a Sum of Fragment-Based Contributions and Its Application to the Prediction of Drug Transport Properties
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Derivation and Validation of Toxicophores for Mutagenicity Prediction
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Nearest neighbor pattern classification
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Clustering data streams: theory and practice
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Drug Delivery Systems: Entering the Mainstream
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The Many Roles of Computation in Drug Discovery
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Locality-sensitive hashing scheme based on p-stable distributions
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Virtual Screening Methods that Complement HTS
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Pattern Classification

What points at this work

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

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