Three-dimensional quantitative structure-activity relationships of steroid aromatase inhibitors. - Tudor I. Oprea; Angel E. García (J. Comput. Aided Mol. Des., 1996)

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)

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)

Property distribution of drug-related chemical databases. - Tudor I. Oprea (J. Comput. Aided Mol. Des., 2000)

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)

Current trends in lead discovery: Are we looking for the appropriate properties? - Tudor I. Oprea (J. Comput. Aided Mol. Des., 2002)

Distant collaboration in drug discovery: The LINK3D project. - Manuel Pastor; Paolo Benedetti; Angelo Carotti; Antonio Carrieri; Carlos Díaz; Cristina Herráiz; Hans-Dieter Höltje; María Isabel Loza; Tudor I. Oprea; Fernando Padín; Francesc Pubill; Ferran Sanz; et al. (J. Comput. Aided Mol. Des., 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)

An automated PLS search for biologically relevant QSAR descriptors. - Marius Olah; Cristian Bologa; Tudor I. Oprea (J. Comput. Aided Mol. Des., 2004)

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)

Surrogate data - a secure way to share corporate data. - Igor V. Tetko; Ruben Abagyan; Tudor I. Oprea (J. Comput. Aided Mol. Des., 2005)

Rapid Evaluation of Synthetic and Molecular Complexity for in Silico Chemistry. - Tharun Kumar Allu; Tudor I. Oprea (J. Chem. Inf. Model., 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)

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)

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)

Ligand-Based Virtual Screening by Novelty Detection with Self-Organizing Maps. - Dimitar Hristozov; Tudor I. Oprea; Johann Gasteiger (J. Chem. Inf. Model., 2007)

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)

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)

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)

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)

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)

iPHACE: integrative navigation in pharmacological space. - Ricard García-Serna; Oleg Ursu; Tudor I. Oprea; Jordi Mestres (Bioinform., 2010)

Model-Free Drug-Likeness from Fragments. - Oleg Ursu; Tudor I. Oprea (J. Chem. Inf. Model., 2010)

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)

Of possible cheminformatics futures. - Tudor I. Oprea; Olivier Taboureau; Cristian Bologa (J. Comput. Aided Mol. Des., 2012)

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)

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)

Discovery of a Novel Selective PPARγ Ligand with Partial Agonist Binding Properties by Integrated in Silico/in Vitro 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)

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)

Genomic dark matter, druggability and misunderstood targets. - Subramani Mani; Joshua Swamidass; Noel Southall; Tudor I. Oprea (AMIA, 2014)

Protein Drug Target Prioritization for Illumination. - Subramani Mani; Daniel Cannon; Tudor I. Oprea; Stephen L. Mathias; Oleg Ursu; Cristian Bologa (AMIA, 2015)

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)

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)

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)

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)

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 (BIBM, 2017)

Learning reference-enriched approach towards large scale active ontology alignment and integration. - Qiong Cheng; Oleg Ursu; Tudor I. Oprea; Stephan C. Schürer (BIBM, 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)

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; et al. (J. Biomed. Semant., 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)

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)

Obituary: Toshio Fujita, QSAR pioneer. - Miki Akamatsu; Tudor I. Oprea (J. Comput. Aided Mol. Des., 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; et al. (Nucleic Acids Res., 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)

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)

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)

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)

SmartGraph: a network pharmacology investigation platform. - Gergely Zahoránszky-Köhalmi; Timothy Sheils; Tudor I. Oprea (J. Cheminformatics, 2020)

Off-Patent Drug Repositioning. - Sorin I. Avram; Ramona Curpan; Liliana Halip; Alina Bora; Tudor I. Oprea (J. Chem. Inf. Model., 2020)

TIGA: target illumination GWAS analytics. - Jeremy J. Yang; Dhouha Grissa; Christophe G. Lambert; Cristian Bologa; Stephen L. Mathias; Anna Waller; David J. Wild 001; Lars Juhl Jensen; Tudor I. Oprea (Bioinform., 2021)

InContext: curation of medical context for drug indications. - Kody Moodley; Linda Rieswijk; Tudor I. Oprea; Michel Dumontier (J. Biomed. Semant., 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; et al. (Nucleic Acids Res., 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; et al. (Nucleic Acids Res., 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)

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; et al. (PLoS Comput. Biol., 2021)

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)

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; et al. (J. Cheminformatics, 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; et al. (J. Chem. Inf. Model., 2022)

Artificial Intelligence for Drug Discovery: Are We There Yet? - Catrin Hasselgren; Tudor I. Oprea (CoRR, 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., 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; et al. (Nucleic Acids Res., 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., 2023)

SmartGraph API: Programmatic Knowledge Mining in Network-Pharmacology Setting. - Gergely Zahoránszky-Köhalmi; Brandon Walker; Nathan Miller; Brett Yang; Dhatri V. L. Penna; Jessica Maine; Timothy Sheils; Ke Wang; Jennifer King; Hythem Sidky; Sridhar Vuyyuru; Jeyaraman Soundarajan; et al. (J. Chem. Inf. Model., 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., 2024)