Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

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Chemical reaction vector embeddings: towards predicting drug metabolism in the human gut microbiome.

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

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2016 nî lūn-bûn

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations.

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations.

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations.

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

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P2093

Christian Tyrchan

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Emma Evertsson

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P2860

Structure−Activity Landscape Index: Identifying and Quantifying Activity Cliffs

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Matched Peptides: Tuning Matched Molecular Pair Analysis for Biopharmaceutical Applications

On Outliers and Activity Cliffs - Why QSAR Often Disappoints

Comparison of molecular fingerprint methods on the basis of biological profile data.

Computationally efficient algorithm to identify matched molecular pairs (MMPs) in large data sets.

WizePairZ: a novel algorithm to identify, encode, and exploit matched molecular pairs with unspecified cores in medicinal chemistry.

Local structural changes, global data views: graphical substructure-activity relationship trailing.

Extraction of tacit knowledge from large ADME data sets via pairwise analysis.

Making every SAR point count: the development of Chemistry Connect for the large-scale integration of structure and bioactivity data.

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86-90

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scholarly article

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10.1016/J.CSBJ.2016.12.003

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2016-12-13T00:00:00Z

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28066532

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5198793

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Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

about

P2860

P2860

Matched Molecular Pair Analysis in Short: Algorithms, Applications and Limitations

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