Integrating computational lead optimization diagnostics with analog design and candidate selection

por Yonchev, Dimitar, Bajorath, Jürgen
Publicado 2020

Inhibitor bias in luciferase-based luminescence assays

por Yonchev, Dimitar, Bajorath, Jürgen
Publicado 2020

DeepCOMO: from structure-activity relationship diagnostics to generative molecular design using the compound optimization monitor methodology

por Yonchev, Dimitar, Bajorath, Jürgen
Publicado 2020

Analysis of Biological Screening Compounds with Single- or Multi-Target Activity via Diagnostic Machine Learning

por Feldmann, Christian, Yonchev, Dimitar, Bajorath, Jürgen
Publicado 2020

From SAR Diagnostics to Compound Design: Development Chronology of the Compound Optimization Monitor (COMO) Method

por Yonchev, Dimitar, Vogt, Martin, Bajorath, Jürgen
Publicado 2020

Structured data sets of compounds with multi-target and corresponding single-target activity from biological assays

por Feldmann, Christian, Yonchev, Dimitar, Bajorath, Jürgen
Publicado 2021

Identifying Promiscuous Compounds with Activity against Different Target Classes

por Feldmann, Christian, Miljković, Filip, Yonchev, Dimitar, Bajorath, Jürgen
Publicado 2019

A preclinical secondary pharmacology resource illuminates target-adverse drug reaction associations of marketed drugs

por Sutherland, Jeffrey J., Yonchev, Dimitar, Fekete, Alexander, Urban, Laszlo
Publicado 2023

Computational Assessment of Chemical Saturation of Analogue Series under Varying Conditions

por Yonchev, Dimitar, Vogt, Martin, Stumpfe, Dagmar, Kunimoto, Ryo, Miyao, Tomoyuki, Bajorath, Jürgen
Publicado 2018

Predicting Isoform-Selective Carbonic Anhydrase Inhibitors via Machine Learning and Rationalizing Structural Features Important for Selectivity

por Galati, Salvatore, Yonchev, Dimitar, Rodríguez-Pérez, Raquel, Vogt, Martin, Tuccinardi, Tiziano, Bajorath, Jürgen
Publicado 2021

SeMPI: a genome-based secondary metabolite prediction and identification web server

por Zierep, Paul F., Padilla, Natàlia, Yonchev, Dimitar G., Telukunta, Kiran K., Klementz, Dennis, Günther, Stefan
Publicado 2017