List of works - Eugen Lounkine

Chemotography for multi-target SAR analysis in the context of biological pathways ⬇️

scientific article published on February 20, 2012

Core trees and consensus fragment sequences for molecular representation and similarity analysis

scientific article published on 21 May 2008

Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes

scientific article

Filtering and counting of extended connectivity fingerprint features maximizes compound recall and the structural diversity of hits

scientific article published in July 2009

Fragment formal concept analysis accurately classifies compounds with closely related biological activities

scientific article published on 01 July 2009

Identifying mechanism-of-action targets for drugs and probes.

scientific article

Improving the Search Performance of Extended Connectivity Fingerprints through Activity-Oriented Feature Filtering and Application of a Bit-Density-Dependent Similarity Function

scholarly article by Ye Hu et al published 17 April 2009 in ChemMedChem

Large-scale prediction and testing of drug activity on side-effect targets ⬇️

scientific article published on June 10, 2012

Many approved drugs have bioactive analogs with different target annotations

scientific article

Mapping of activity-specific fragment pathways isolated from random fragment populations reveals the formation of coherent molecular cores

scientific article published on 16 October 2007

Methods for computer-aided chemical biology. Part 4: selectivity searching for ion channel ligands and mapping of molecular fragments as selectivity markers

scientific article

Molecular Formal Concept Analysis for compound selectivity profiling in biologically annotated databases

scientific article published on 01 June 2009

Molecular test systems for computational selectivity studies and systematic analysis of compound selectivity profiles

scientific article published in January 2011

Random molecular fragment methods in computational medicinal chemistry.

scientific article published on January 2008

RelACCS-FP: a structural minimalist approach to fingerprint design

scientific article published on 01 November 2008

Relevance of feature combinations for similarity searching using general or activity class-directed molecular fingerprints

scientific article published on 01 March 2009

Rethinking molecular similarity: comparing compounds on the basis of biological activity.

scientific article published on 31 May 2012

Reverse translation of adverse event reports paves the way for de-risking preclinical off-targets.

scientific article published on 08 August 2017

Similarity searching using fingerprints of molecular fragments involved in protein-ligand interactions

scientific article published on 01 December 2008

Systematic analysis of public domain compound potency data identifies selective molecular scaffolds across druggable target families

scientific article

Topological fragment index for the analysis of molecular substructures and their topological environment in active compounds

scientific article published on 01 February 2009

List of works by Eugen Lounkine

Chemotography for multi-target SAR analysis in the context of biological pathways ⬇️

Core trees and consensus fragment sequences for molecular representation and similarity analysis

Efficient search of chemical space: navigating from fragments to structurally diverse chemotypes

Filtering and counting of extended connectivity fingerprint features maximizes compound recall and the structural diversity of hits

Fragment formal concept analysis accurately classifies compounds with closely related biological activities

Identifying mechanism-of-action targets for drugs and probes.

Improving the Search Performance of Extended Connectivity Fingerprints through Activity-Oriented Feature Filtering and Application of a Bit-Density-Dependent Similarity Function

Large-scale prediction and testing of drug activity on side-effect targets ⬇️

Many approved drugs have bioactive analogs with different target annotations

Mapping of activity-specific fragment pathways isolated from random fragment populations reveals the formation of coherent molecular cores

Methods for computer-aided chemical biology. Part 4: selectivity searching for ion channel ligands and mapping of molecular fragments as selectivity markers

Molecular Formal Concept Analysis for compound selectivity profiling in biologically annotated databases

Molecular test systems for computational selectivity studies and systematic analysis of compound selectivity profiles

Random molecular fragment methods in computational medicinal chemistry.

RelACCS-FP: a structural minimalist approach to fingerprint design

Relevance of feature combinations for similarity searching using general or activity class-directed molecular fingerprints

Rethinking molecular similarity: comparing compounds on the basis of biological activity.

Reverse translation of adverse event reports paves the way for de-risking preclinical off-targets.

Similarity searching using fingerprints of molecular fragments involved in protein-ligand interactions

Systematic analysis of public domain compound potency data identifies selective molecular scaffolds across druggable target families

Topological fragment index for the analysis of molecular substructures and their topological environment in active compounds