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List of works by Dilyana Dimova

Activity cliff clusters as a source of structure-activity relationship information

scientific article published on 25 February 2015

Advances in Activity Cliff Research

scientific article

Advances in Computational Medicinal Chemistry: Matched Molecular Pair Analysis

Advancing the activity cliff concept, part II.

scientific article published on 18 March 2014

Analog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistry

scientific article (publication date: December 2016)

Application of a New Scaffold Concept for Computational Target Deconvolution of Chemical Cancer Cell Line Screens

article published in 2017

Assessing Scaffold Diversity of Kinase Inhibitors Using Alternative Scaffold Concepts and Estimating the Scaffold Hopping Potential for Different Kinases.

scientific article published on 3 May 2017

Assessing the Target Differentiation Potential of Imidazole-Based Protein Kinase Inhibitors ⬇️

scientific article published on December 11, 2012

Collection of analog series-based scaffolds from public compound sources.

scientific article published on 8 February 2018

Compound pathway model to capture SAR progression: comparison of activity cliff-dependent and -independent pathways

scientific article

Computational Chemical Biology: Identification of Small Molecular Probes that Discriminate between Members of Target Protein Families ⬇️

scientific article published on January 30, 2012

Computational Method for the Systematic Identification of Analog Series and Key Compounds Representing Series and Their Biological Activity Profiles

scientific article published on 8 August 2016

Computational design of new molecular scaffolds for medicinal chemistry, part II: generalization of analog series-based scaffolds

scientific article published on 30 November 2017

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

scientific article

Design of multitarget activity landscapes that capture hierarchical activity cliff distributions

scientific article

Do medicinal chemists learn from activity cliffs? A systematic evaluation of cliff progression in evolving compound data sets

scientific article

Exploring Structural Relationships between Bioactive and Commercial Chemical Space and Developing Target Hypotheses for Compound Acquisition

Extraction of SAR information from activity cliff clusters via matching molecular series

scientific article published on 30 September 2014

Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology

scientific article

Identification and analysis of promiscuity cliffs formed by bioactive compounds and experimental implications

scholarly article in RSC Advances, vol. 7 no. 1, 2017

Identification of orthologous target pairs with shared active compounds and comparison of organism-specific activity patterns

scientific article published on 30 April 2015

Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds?

scientific article published on 16 June 2017

Large-scale assessment of activity landscape feature probabilities of bioactive compounds

scientific article published on 21 January 2014

Mapping Biological Activities to Different Types of Molecular Scaffolds: Exemplary Application to Protein Kinase Inhibitors

scientific article published on 01 January 2018

Matched molecular pair analysis of small molecule microarray data identifies promiscuity cliffs and reveals molecular origins of extreme compound promiscuity

scientific article published on 22 October 2012

Monitoring the Progression of Structure-Activity Relationship Information during Lead Optimization

scientific article published on 16 November 2015

Navigating High-Dimensional Activity Landscapes: Design and Application of the Ligand-Target Differentiation Map ⬇️

scientific article published on July 24, 2012

Quantifying the fingerprint descriptor dependence of structure-activity relationship information on a large scale

scientific article

Rationalizing Promiscuity Cliffs

scientific article

Recent progress in understanding activity cliffs and their utility in medicinal chemistry.

scientific article

Redundancy in two major compound databases

Structural diversity and potency range distribution of scaffolds from compounds active against current pharmaceutical targets

scientific article published on February 2015

Systematic analysis of structural and activity relationships between conventional hierarchical and analog series-based scaffolds

scholarly article in RSC Advances, vol. 7 no. 30, 2017

Systematic assessment of coordinated activity cliffs formed by kinase inhibitors and detailed characterization of activity cliff clusters and associated SAR information

scientific article published on 29 November 2014

Systematic assessment of scaffold hopping versus activity cliff formation across bioactive compound classes following a molecular hierarchy

scientific article published on May 2015

Visualization of multi-property landscapes for compound selection and optimization.

scientific article

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