Publications by authors named "Dimitar Yonchev"

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DeepCt: Predicting Pharmacokinetic Concentration-Time Curves and Compartmental Models from Chemical Structure Using Deep Learning.
Maximilian Beckers, Dimitar Yonchev, Sandrine Desrayaud, Grégori Gerebtzoff, Raquel Rodríguez-Pérez

Mol Pharm· December 2024

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A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs.
Jeffrey J Sutherland, Dimitar Yonchev, Alexander Fekete, Laszlo Urban

Nat Commun· July 2023

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Structured data sets of compounds with multi-target and corresponding single-target activity from biological assays.
Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath

Future Sci OA· March 2021

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Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity.
Salvatore Galati, Dimitar Yonchev, Raquel Rodríguez-Pérez, Martin Vogt, Tiziano Tuccinardi

ACS Omega· February 2021

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From SAR Diagnostics to Compound Design: Development Chronology of the Compound Optimization Monitor (COMO) Method.
Dimitar Yonchev, Martin Vogt, Jürgen Bajorath

Mol Inform· December 2020

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DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology.
Dimitar Yonchev, Jürgen Bajorath

J Comput Aided Mol Des· December 2020

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Systematic Data Analysis and Diagnostic Machine Learning Reveal Differences between Compounds with Single- and Multitarget Activity.
Christian Feldmann, Dimitar Yonchev, Dagmar Stumpfe, Jürgen Bajorath

Mol Pharm· December 2020

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Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning.
Christian Feldmann, Dimitar Yonchev, Jürgen Bajorath

Biomolecules· November 2020

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Inhibitor bias in luciferase-based luminescence assays.
Dimitar Yonchev, Jürgen Bajorath

Future Sci OA· June 2020

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Integrating computational lead optimization diagnostics with analog design and candidate selection.
Dimitar Yonchev, Jürgen Bajorath

Future Sci OA· January 2020

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Identifying Promiscuous Compounds with Activity against Different Target Classes.
Christian Feldmann, Filip Miljković, Dimitar Yonchev, Jürgen Bajorath

Molecules· November 2019

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Computational Method to Evaluate Progress in Lead Optimization.
Martin Vogt, Dimitar Yonchev, Jürgen Bajorath

J Med Chem· December 2018

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Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions.
Dimitar Yonchev, Martin Vogt, Dagmar Stumpfe, Ryo Kunimoto, Tomoyuki Miyao

ACS Omega· November 2018

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Redundancy in two major compound databases.
Dimitar Yonchev, Dilyana Dimova, Dagmar Stumpfe, Martin Vogt, Jürgen Bajorath

Drug Discov Today· June 2018

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SeMPI: a genome-based secondary metabolite prediction and identification web server.
Paul F Zierep, Natàlia Padilla, Dimitar G Yonchev, Kiran K Telukunta, Dennis Klementz

Nucleic Acids Res· July 2017

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