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1. Towards predictive resistance models for agrochemicals by combining chemical and protein similarity via proteochemometric modelling

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2. Dynamic clustering threshold reduces conformer ensemble size while maintaining a biologically relevant ensemble

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3. Predictive Resistance Models Combining Chemical and Target Similarity


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4. Screening for dihydrofolate reductase inhibitors using molprint 2d, a fast fragmentbased method employing the nave bayesian classifier: Limitations of the descriptor and the...

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5. DOI: 10.1039/b409813g Molecular similarity: a key technique in molecular informatics†

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6. Ex parte enim cognoscimus.

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7. atom environment descriptors: evaluation

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8. Supervisor

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9. RC: A Discussion of Measures of Enrichment in Virtual Screening: Comparing the Information Content of Descriptors with Increasing Levels of Sophistication

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10. Repository CRAN

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