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Lista de obras de Jürgen Bajorath

A computational method to facilitate structure-activity relationship transfer.

artículo científico publicado en 2012

Adaptation of formal concept analysis for the systematic exploration of structure-activity and structure-selectivity relationships.

artículo científico publicado en 2010

Compound optimization through data set-dependent chemical transformations

Design of multi-target activity landscapes that capture hierarchical activity cliff distributions.

artículo científico publicado en 2012

Evaluation of molecular model-based discovery of ecto-5’-nucleotidase inhibitors on the basis of X-ray structures.

artículo científico publicado en 2014

Potency-directed similarity searching using support vector machines.

artículo científico publicado en 2012

R-group replacement database for medicinal chemistry

publication published on 30 June 2021

Searchable database of frequent R-groups in medicinal chemistry and their preferred replacements

publication published on 08 October 2021

Statistical modeling of value distributions of similarity coefficients in virtual screening and its application to predicting fingerprint search performance

Systematic extraction of structure-activity relationship information from biological screening data

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