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Obdulia Rabal
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2020 – today
- 2021
- [j14]Emilie Pihan
, Martin Kotev
Fine tuning for success in structure-based virtual screening. J. Comput. Aided Mol. Des. 35(12): 1195-1206 (2021) - 2020
- [j13]Edgar López-López
Towards the understanding of the activity of G9a inhibitors: an activity landscape and molecular modeling approach. J. Comput. Aided Mol. Des. 34(6): 659-669 (2020)
2010 – 2019
- 2019
- [c1]Aitor Gonzalez-Agirre, Montserrat Marimon, Ander Intxaurrondo, Obdulia Rabal, Marta Villegas, Martin Krallinger:
PharmaCoNER: Pharmacological Substances, Compounds and proteins Named Entity Recognition track. BioNLP-OST@EMNLP-IJNCLP 2019: 1-10 - 2018
- [j12]Obdulia Rabal
Novel pharmacological maps of protein lysine methyltransferases: key for target deorphanization. J. Cheminformatics 10(1): 32:1-32:19 (2018) - [j11]Javier Vázquez
Development and Validation of Molecular Overlays Derived from Three-Dimensional Hydrophobic Similarity with PharmScreen. J. Chem. Inf. Model. 58(8): 1596-1609 (2018) - 2017
- [j10]Andrés Cañada, Salvador Capella-Gutiérrez
LimTox: a web tool for applied text mining of adverse event and toxicity associations of compounds, drugs and genes. Nucleic Acids Res. 45(Webserver-Issue): W484-W489 (2017) - 2016
- [j9]Martín Pérez-Pérez
The Markyt visualisation, prediction and benchmark platform for chemical and gene entity recognition at BioCreative/CHEMDNER challenge. Database J. Biol. Databases Curation 2016 (2016) - 2015
- [j8]Martin Krallinger
CHEMDNER: The drugs and chemical names extraction challenge. J. Cheminformatics 7(S-1): S1 (2015) - [j7]Martin Krallinger
The CHEMDNER corpus of chemicals and drugs and its annotation principles. J. Cheminformatics 7(S-1): S2 (2015) - [j6]Obdulia Rabal
Novel Scaffold Fingerprint (SFP): Applications in Scaffold Hopping and Scaffold-Based Selection of Diverse Compounds. J. Chem. Inf. Model. 55(1): 1-18 (2015) - 2012
- [j5]Obdulia Rabal
Using Novel Descriptor Accounting for Ligand-Receptor Interactions To Define and Visually Explore Biologically Relevant Chemical Space. J. Chem. Inf. Model. 52(5): 1086-1102 (2012) - [j4]Obdulia Rabal
Biologically Relevant Chemical Space Navigator: From Patent and Structure-Activity Relationship Analysis to Library Acquisition and Design. J. Chem. Inf. Model. 52(12): 3123-3137 (2012)
2000 – 2009
- 2009
- [j3]Violeta I. Pérez-Nueno, Obdulia Rabal
APIF: A New Interaction Fingerprint Based on Atom Pairs and Its Application to Virtual Screening. J. Chem. Inf. Model. 49(5): 1245-1260 (2009) - 2008
- [j2]Violeta I. Pérez-Nueno, David W. Ritchie
Comparison of Ligand-Based and Receptor-Based Virtual Screening of HIV Entry Inhibitors for the CXCR4 and CCR5 Receptors Using 3D Ligand Shape Matching and Ligand-Receptor Docking. J. Chem. Inf. Model. 48(3): 509-533 (2008) - 2007
- [j1]Obdulia Rabal
Cell-Integral-Diversity Criterion: A Proposal for Minimizing Cluster Artifact in Cell-Based Selections. J. Chem. Inf. Model. 47(5): 1886-1896 (2007)
Coauthor Index
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