Tudor I. Oprea

According to our database, Tudor I. Oprea authored at least 63 papers between 1996 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of three.

2024

Correction: Exploring DrugCentral: from molecular structures to clinical effects.

Liliana Halip, Sorin I. Avram, Ramona Curpan, Ana Borota, Alina Bora, Cristian Bologa, Tudor I. Oprea

J. Comput. Aided Mol. Des., December, 2024

2023

Exploring DrugCentral: from molecular structures to clinical effects.

Liliana Halip, Sorin I. Avram, Ramona Curpan, Ana Borota, Alina Bora, Cristian Bologa, Tudor I. Oprea

J. Comput. Aided Mol. Des., December, 2023

Pharos 2023: an integrated resource for the understudied human proteome.

Keith J. Kelleher, Timothy Sheils, Stephen L. Mathias, Jeremy J. Yang, Vincent T. Metzger, Vishal B. Siramshetty, Dac-Trung Nguyen, Lars Juhl Jensen, Dusica Vidovic, Stephan C. Schürer, Jayme Holmes, Karlie R. Sharma, Ajay Pillai, Cristian Bologa, Jeremy S. Edwards, Ewy A. Mathé, Tudor I. Oprea

Nucleic Acids Res., January, 2023

DrugCentral 2023 extends human clinical data and integrates veterinary drugs.

Sorin I. Avram, Thomas B. Wilson, Ramona Curpan, Liliana Halip, Ana Borota, Alina Bora, Cristian Bologa, Jayme Holmes, Jeffrey Knockel, Jeremy J. Yang, Tudor I. Oprea

Nucleic Acids Res., January, 2023

Artificial Intelligence for Drug Discovery: Are We There Yet?

Catrin Hasselgren, Tudor I. Oprea

CoRR, 2023

2022

A Workflow of Integrated Resources to Catalyze Network Pharmacology Driven COVID-19 Research.

Gergely Zahoránszky-Köhalmi, Vishal B. Siramshetty, Praveen Kumar, Manideep Gurumurthy, Busola Grillo, Biju Mathew, Dimitrios Metaxatos, Mark Backus, Tim Mierzwa, Reid Simon, Ivan Grishagin, Laura Brovold, Ewy A. Mathé, Matthew D. Hall, Samuel G. Michael, Alexander G. Godfrey, Jordi Mestres, Lars Juhl Jensen, Tudor I. Oprea

J. Chem. Inf. Model., 2022

Chemoinformatics and artificial intelligence colloquium: progress and challenges in developing bioactive compounds.

Jürgen Bajorath, Ana L. Chávez-Hernández, Miquel Duran-Frigola, Eli Fernández-de Gortari, Johann Gasteiger, Edgar López-López, Gerald M. Maggiora, José L. Medina-Franco, Oscar Méndez-Lucio, Jordi Mestres, Ramón Alain Miranda-Quintana, Tudor I. Oprea, Fabien Plisson, Fernando D. Prieto-Martínez, Raquel Rodríguez-Pérez, Paola Rondón-Villarreal, Fernanda I. Saldívar-González, Norberto Sánchez-Cruz, Marilia Valli

J. Cheminformatics, 2022

Diseases 2.0: a weekly updated database of disease-gene associations from text mining and data integration.

Dhouha Grissa, Alexander Junge, Tudor I. Oprea, Lars Juhl Jensen

Database J. Biol. Databases Curation, 2022

2021

COVIDomic: A multi-modal cloud-based platform for identification of risk factors associated with COVID-19 severity.

Vladimir Naumov, Evgeny Putin, Stefan Pushkov, Ekaterina Kozlova, Konstantin Romantsov, Alexander A. Kalashnikov, Fedor Galkin, Nina Tihonova, Anastasia Shneyderman, Egor Galkin, Arsenii Zinkevich, Stephanie M. Cope, Ramanathan Sethuraman, Tudor I. Oprea, Alexander T. Pearson, Savas Tay, Nishant Agrawal, Alexey Dubovenko, Quentin Vanhaelen, Ivan Ozerov, Alex Aliper, Evgeny Izumchenko, Alex Zhavoronkov

PLoS Comput. Biol., 2021

A machine learning platform to estimate anti-SARS-CoV-2 activities.

Govinda B. Kc, Giovanni Bocci, Srijan Verma, Md Mahmudulla Hassan, Jayme Holmes, Jeremy J. Yang, Suman Sirimulla, Tudor I. Oprea

Nat. Mach. Intell., 2021

TCRD and Pharos 2021: mining the human proteome for disease biology.

Timothy Sheils, Stephen L. Mathias, Keith J. Kelleher, Vishal B. Siramshetty, Dac-Trung Nguyen, Cristian Bologa, Lars Juhl Jensen, Dusica Vidovic, Amar Koleti, Stephan C. Schürer, Anna Waller, Jeremy J. Yang, Jayme Holmes, Giovanni Bocci, Noel Southall, Poorva Dharkar, Ewy A. Mathé, Anton Simeonov, Tudor I. Oprea

Nucleic Acids Res., 2021

DrugCentral 2021 supports drug discovery and repositioning.

Sorin I. Avram, Cristian Bologa, Jayme Holmes, Giovanni Bocci, Thomas B. Wilson, Dac-Trung Nguyen, Ramona Curpan, Liliana Halip, Alina Bora, Jeremy J. Yang, Jeffrey Knockel, Suman Sirimulla, Oleg Ursu, Tudor I. Oprea

Nucleic Acids Res., 2021

InContext: curation of medical context for drug indications.

Kody Moodley, Linda Rieswijk, Tudor I. Oprea, Michel Dumontier

J. Biomed. Semant., 2021

TIGA: target illumination GWAS analytics.

Jeremy J. Yang, Dhouha Grissa, Christophe G. Lambert, Cristian Bologa, Stephen L. Mathias, Anna Waller, David J. Wild, Lars Juhl Jensen, Tudor I. Oprea

Bioinform., 2021

2020

Off-Patent Drug Repositioning.

Sorin I. Avram, Ramona Curpan, Liliana Halip, Alina Bora, Tudor I. Oprea

J. Chem. Inf. Model., 2020

SmartGraph: a network pharmacology investigation platform.

Gergely Zahoránszky-Köhalmi, Timothy Sheils, Tudor I. Oprea

J. Cheminformatics, 2020

2019

DrugCentral 2018: an update.

Oleg Ursu, Jayme Holmes, Cristian Bologa, Jeremy J. Yang, Stephen L. Mathias, Vasileios Stathias, Dac-Trung Nguyen, Stephan C. Schürer, Tudor I. Oprea

Nucleic Acids Res., 2019

2018

Leaving us with fond memories, smiles, SMILES and, alas, tears: a tribute to David Weininger, 1952-2016.

Johann Gasteiger, Yvonne C. Martin, Anthony Nicholls, Tudor I. Oprea, Terry R. Stouch

J. Comput. Aided Mol. Des., 2018

Chronic obstructive pulmonary disease phenotypes using cluster analysis of electronic medical records.

Rodrigo Vazquez Guillamet, Oleg Ursu, Gary Iwamoto, Pope L. Moseley, Tudor I. Oprea

Health Informatics J., 2018

2017

DrugCentral: online drug compendium.

Oleg Ursu, Jayme Holmes, Jeffrey Knockel, Cristian Bologa, Jeremy J. Yang, Stephen L. Mathias, Stuart J. Nelson, Tudor I. Oprea

Nucleic Acids Res., 2017

Pharos: Collating protein information to shed light on the druggable genome.

Dac-Trung Nguyen, Stephen L. Mathias, Cristian Bologa, Søren Brunak, Nicolas F. Fernandez, Anna Gaulton, Anne Hersey, Jayme Holmes, Lars Juhl Jensen, Anneli Karlsson, Guixia Liu, Avi Ma'ayan, Geetha Mandava, Subramani Mani, Saurabh Mehta, John P. Overington, Juhee Patel, Andrew D. Rouillard, Stephan C. Schürer, Timothy Sheils, Anton Simeonov, Larry A. Sklar, Noel Southall, Oleg Ursu, Dusica Vidovic, Anna Waller, Jeremy J. Yang, Ajit Jadhav, Tudor I. Oprea, Rajarshi Guha

Nucleic Acids Res., 2017

Obituary: Toshio Fujita, QSAR pioneer.

Miki Akamatsu, Tudor I. Oprea

J. Comput. Aided Mol. Des., 2017

Protein biomarker druggability profiling.

Subramani Mani, Daniel Cannon, Robin Ohls, Tudor I. Oprea, Stephen L. Mathias, Karri Ballard, Oleg Ursu, Cristian Bologa

J. Biomed. Informatics, 2017

Formalizing drug indications on the road to therapeutic intent.

Stuart J. Nelson, Tudor I. Oprea, Oleg Ursu, Cristian Bologa, Amrapali Zaveri, Jayme Holmes, Jeremy J. Yang, Stephen L. Mathias, Subramani Mani, Mark S. Tuttle, Michel Dumontier

J. Am. Medical Informatics Assoc., 2017

Drug target ontology to classify and integrate drug discovery data.

Yu Lin, Saurabh Mehta, Hande Küçük-McGinty, John Paul Turner, Dusica Vidovic, Michele Forlin, Amar Koleti, Dac-Trung Nguyen, Lars Juhl Jensen, Rajarshi Guha, Stephen L. Mathias, Oleg Ursu, Vasileios Stathias, Jianbin Duan, Nooshin Nabizadeh, Caty Chung, Christopher Mader, Ubbo Visser, Jeremy J. Yang, Cristian Bologa, Tudor I. Oprea, Stephan C. Schürer

J. Biomed. Semant., 2017

TIN-X: target importance and novelty explorer.

Daniel Cannon, Jeremy J. Yang, Stephen L. Mathias, Oleg Ursu, Subramani Mani, Anna Waller, Stephan C. Schürer, Lars Juhl Jensen, Larry A. Sklar, Cristian Bologa, Tudor I. Oprea

Bioinform., 2017

Learning reference-enriched approach towards large scale active ontology alignment and integration.

Qiong Cheng, Oleg Ursu, Tudor I. Oprea, Stephan C. Schürer

Proceedings of the 2017 IEEE International Conference on Bioinformatics and Biomedicine, 2017

The ontology reference model for visual selectivity analysis in drug-target interactions.

Qiong Cheng, Felix A. Lopez, Celia Duran, Christopher Camarillo, Tudor I. Oprea, Stephan C. Schürer

Proceedings of the 2017 IEEE International Conference on Bioinformatics and Biomedicine, 2017

2016

Erratum to: Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.

Gergely Zahoránszky-Köhalmi, Cristian Bologa, Oleg Ursu, Tudor I. Oprea

J. Cheminformatics, 2016

Impact of similarity threshold on the topology of molecular similarity networks and clustering outcomes.

Gergely Zahoránszky-Köhalmi, Cristian Bologa, Oleg Ursu, Tudor I. Oprea

J. Cheminformatics, 2016

Badapple: promiscuity patterns from noisy evidence.

Jeremy J. Yang, Oleg Ursu, Christopher A. Lipinski, Larry A. Sklar, Tudor I. Oprea, Cristian Bologa

J. Cheminformatics, 2016

ChemProt-3.0: a global chemical biology diseases mapping.

Jens Kringelum, Sonny Kim Kjærulff, Søren Brunak, Ole Lund, Tudor I. Oprea, Olivier Taboureau

Database J. Biol. Databases Curation, 2016

2015

Protein Drug Target Prioritization for Illumination.

Subramani Mani, Daniel Cannon, Tudor I. Oprea, Stephen L. Mathias, Oleg Ursu, Cristian Bologa

Proceedings of the AMIA 2015, 2015

2014

Genomic dark matter, druggability and misunderstood targets.

Subramani Mani, Joshua Swamidass, Noel Southall, Tudor I. Oprea

Proceedings of the AMIA 2014, 2014

2013

ChemProt-2.0: visual navigation in a disease chemical biology database.

Sonny Kim Kjærulff, Louis Wich, Jens Kringelum, Ulrik Plesner Jacobsen, Irene Kouskoumvekaki, Karine Audouze, Ole Lund, Søren Brunak, Tudor I. Oprea, Olivier Taboureau

Nucleic Acids Res., 2013

Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated <i>in Silico</i>/<i>in Vitro</i> Work Flow.

Irene Kouskoumvekaki, Rasmus K. Petersen, Filip Fratev, Olivier Taboureau, Thomas E. Nielsen, Tudor I. Oprea, Si B. Sonne, Esben N. Flindt, Svava Ósk Jónsdóttir, Karsten Kristiansen

J. Chem. Inf. Model., 2013

A systems chemical biology study of malate synthase and isocitrate lyase inhibition in Mycobacterium tuberculosis during active and NRP growth.

Elebeoba E. May, Andrei Leitão, Alexander Tropsha, Tudor I. Oprea

Comput. Biol. Chem., 2013

The CARLSBAD Database: A Confederated Database of Chemical Bioactivities.

Stephen L. Mathias, Jarrett Hines-Kay, Jeremy J. Yang, Gergely Zahoránszky-Köhalmi, Cristian Bologa, Oleg Ursu, Tudor I. Oprea

Database J. Biol. Databases Curation, 2013

2012

Of possible cheminformatics futures.

Tudor I. Oprea, Olivier Taboureau, Cristian Bologa

J. Comput. Aided Mol. Des., 2012

2011

ChemProt: a disease chemical biology database.

Olivier Taboureau, Sonny Kim Nielsen, Karine Audouze, Nils Weinhold, Daniel Edsgärd, Francisco S. Roque, Irene Kouskoumvekaki, Alina Bora, Ramona Curpan, Thomas Skøt Jensen, Søren Brunak, Tudor I. Oprea

Nucleic Acids Res., 2011

2010

Model-Free Drug-Likeness from Fragments.

Oleg Ursu, Tudor I. Oprea

J. Chem. Inf. Model., 2010

iPHACE: integrative navigation in pharmacological space.

Ricard García-Serna, Oleg Ursu, Tudor I. Oprea, Jordi Mestres

Bioinform., 2010

2008

Scaffold Topologies. 2. Analysis of Chemical Databases.

Michael J. Wester, Sara N. Pollock, Evangelos A. Coutsias, Tharun Kumar Allu, Sorel Muresan, Tudor I. Oprea

J. Chem. Inf. Model., 2008

Scaffold Topologies. 1. Exhaustive Enumeration up to Eight Rings.

Sara N. Pollock, Evangelos A. Coutsias, Michael J. Wester, Tudor I. Oprea

J. Chem. Inf. Model., 2008

Quantifying the Relationships among Drug Classes.

Jérôme Hert, Michael J. Keiser, John J. Irwin, Tudor I. Oprea, Brian K. Shoichet

J. Chem. Inf. Model., 2008

Efficient Calculation of Molecular Properties from Simulation Using Kernel Molecular Dynamics.

W. Michael Brown, Ariella Sasson, Donald R. Bellew, Lucy A. Hunsaker, Shawn Martin, Andrei Leitão, Lorraine M. Deck, David L. Vander Jagt, Tudor I. Oprea

J. Chem. Inf. Model., 2008

Optimization of CAMD techniques 3. Virtual screening enrichment studies: a help or hindrance in tool selection?

Andrew C. Good, Tudor I. Oprea

J. Comput. Aided Mol. Des., 2008

2007

Ligand-Based Virtual Screening by Novelty Detection with Self-Organizing Maps.

Dimitar Hristozov, Tudor I. Oprea, Johann Gasteiger

J. Chem. Inf. Model., 2007

Lead-like, drug-like or "Pub-like": how different are they?

Tudor I. Oprea, Tharun Kumar Allu, Dan C. Fara, Ramona F. Rad, Liliana Ostopovici, Cristian Bologa

J. Comput. Aided Mol. Des., 2007

Virtual screening applications: a study of ligand-based methods and different structure representations in four different scenarios.

Dimitar Hristozov, Tudor I. Oprea, Johann Gasteiger

J. Comput. Aided Mol. Des., 2007

2005

MTD-PLS: A PLS Variant of the Minimal Topologic Difference Method. III. Mapping Interactions between Estradiol Derivatives and the Alpha Estrogenic Receptor.

Ludovic Kurunczi, Edward Seclaman, Tudor I. Oprea, Luminita Crisan, Zeno Simon

J. Chem. Inf. Model., 2005

Rapid Evaluation of Synthetic and Molecular Complexity for in Silico Chemistry.

Tharun Kumar Allu, Tudor I. Oprea

J. Chem. Inf. Model., 2005

Surrogate data - a secure way to share corporate data.

Igor V. Tetko, Ruben Abagyan, Tudor I. Oprea

J. Comput. Aided Mol. Des., 2005

Descriptor collision and confusion: Toward the design of descriptors to mask chemical structures.

Cristian Bologa, Tharun Kumar Allu, Marius Olah, Michael A. Kappler, Tudor I. Oprea

J. Comput. Aided Mol. Des., 2005

2004

An automated PLS search for biologically relevant QSAR descriptors.

Marius Olah, Cristian Bologa, Tudor I. Oprea

J. Comput. Aided Mol. Des., 2004

2002

MTD-PLS: A PLS-Based Variant of the MTD Method, 2. Mapping Ligand-Receptor Interactions. Enzymatic Acetic Acid Esters Hydrolysis.

Ludovic Kurunczi, Marius Olah, Tudor I. Oprea, Cristian Bologa, Zeno Simon

J. Chem. Inf. Comput. Sci., 2002

Distant collaboration in drug discovery: The LINK3D project.

Manuel Pastor, Paolo Benedetti, Angelo Carotti, Antonio Carrieri, Carlos Díaz, Cristina Herráiz, Hans-Dieter Höltje, Maria Isabel Loza, Tudor I. Oprea, Fernando Padín, Francesc Pubill, Ferran Sanz, Friederike Stoll

J. Comput. Aided Mol. Des., 2002

Current trends in lead discovery: Are we looking for the appropriate properties?

Tudor I. Oprea

J. Comput. Aided Mol. Des., 2002

2001

Is There a Difference between Leads and Drugs? A Historical Perspective.

Tudor I. Oprea, Andrew M. Davis, Simon J. Teague, Paul D. Leeson

J. Chem. Inf. Comput. Sci., 2001

2000

Property distribution of drug-related chemical databases.

Tudor I. Oprea

J. Comput. Aided Mol. Des., 2000

1998

MTD-ADJ: A multiconformational minimal topologic difference for determining bioactive conformers using adjusted biological activities.

Traian Sulea, Ludovic Kurunczi, Tudor I. Oprea, Zeno Simon

J. Comput. Aided Mol. Des., 1998

1997

A Different Method for Steric Field Evaluation in CoMFA Improves Model Robustness.

Traian Sulea, Tudor I. Oprea, Sorel Muresan, Shek Ling Chan

J. Chem. Inf. Comput. Sci., 1997

1996

Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors.

Tudor I. Oprea, Angel E. García

J. Comput. Aided Mol. Des., 1996