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Clustering a large number of compounds. 3. The limits of classification
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inferred← citeshttps://doi.org/10.1007/bf00126218openalex-snapshot
A fast and efficient method for 2D and 3D molecular shape description
inferred← citeshttps://doi.org/10.1016/b978-012178245-0/50006-8openalex-snapshot
Experimental Techniques and Data Banks
inferred← citeshttps://doi.org/10.1016/s0169-7439(97)00073-7openalex-snapshot
Data structure comparison using fractal analysis
inferred← citeshttps://doi.org/10.1016/s0169-7439(98)00085-9openalex-snapshot
Representative subset selection using genetic algorithms
inferred← citeshttps://doi.org/10.1016/s0169-7439(99)00010-6openalex-snapshot
Approaches to the design of combinatorial libraries
inferred← citeshttps://doi.org/10.1021/acs.jmedchem.6b01469openalex-snapshot
CNS Physicochemical Property Space Shaped by a Diverse Set of Molecules with Experimentally Determined Exposure in the Mouse Brain
inferred← citeshttps://doi.org/10.1021/ci0600859openalex-snapshot
A Fast Clustering Algorithm for Analyzing Highly Similar Compounds of Very Large Libraries
inferred← citeshttps://doi.org/10.1021/ci200061popenalex-snapshot
Accelerating Two Algorithms for Large-Scale Compound Selection on GPUs
inferred← citeshttps://doi.org/10.1021/ci9501047openalex-snapshot
Use of Structure−Activity Data To Compare Structure-Based Clustering Methods and Descriptors for Use in Compound Selection
inferred← citeshttps://doi.org/10.1021/ci9604605openalex-snapshot
Four Association Coefficients for Relating Molecular Similarity Measures
inferred← citeshttps://doi.org/10.1021/ci980103popenalex-snapshot
Rational Combinatorial Library Design. 3. Simulated Annealing Guided Evaluation (SAGE) of Molecular Diversity: A Novel Computational Tool for Universal Library Design and Database Mining
inferred← citeshttps://doi.org/10.1371/journal.pone.0175758openalex-snapshot
Reconstruction of 3D structures of MET antibodies from electron microscopy 2D class averages
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