A Framework for Improving the Generalizability of Drug-Target Affinity Prediction Models.
J. Comput. Biol., November, 2023
A Computational Software for Training Robust Drug-Target Affinity Prediction Models: pydebiaseddta.
J. Comput. Biol., November, 2023
Automatic Extraction of Medication Mentions from Tweets - Overview of the BioCreative VII Shared Task 3 Competition.
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Database J. Biol. Databases Curation, February, 2023
A Survey on Causal Discovery: Theory and Practice.
Int. J. Approx. Reason., 2022
Exploiting pretrained biochemical language models for targeted drug design.
Bioinform., 2022
Labels in a haystack: Approaches beyond supervised learning in biomedical applications.
Patterns, 2021
Extraction of Medication Names from Twitter Using Augmentation and an Ensemble of Language Models.
CoRR, 2021
DebiasedDTA: Model Debiasing to Boost Drug-Target Affinity Prediction.
CoRR, 2021
Balancing Methods for Multi-label Text Classification with Long-Tailed Class Distribution.
Proceedings of the 2021 Conference on Empirical Methods in Natural Language Processing, 2021
PIDNA at BioASQ MESINESP: Hybrid Semantic Indexing for Biomedical Articles in Spanish.
Proceedings of the Working Notes of CLEF 2021 - Conference and Labs of the Evaluation Forum, Bucharest, Romania, September 21st - to, 2021
Exploring Chemical Space using Natural Language Processing Methodologies for Drug Discovery.
CoRR, 2020
Vapur: A Search Engine to Find Related Protein - Compound Pairs in COVID-19 Literature.
Proceedings of the 1st Workshop on NLP for COVID-19@ EMNLP 2020, Online, December 2020, 2020
An Extended Overview of the CLEF 2020 ChEMU Lab: Information Extraction of Chemical Reactions from Patents.
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Proceedings of the Working Notes of CLEF 2020, 2020
BOUN-REX at CLEF-2020 ChEMU Task 2: Evaluating Pretrained Transformers for Event Extraction.
Proceedings of the Working Notes of CLEF 2020, 2020
WideDTA: prediction of drug-target binding affinity.
CoRR, 2019
Synthesis and biological evaluation of indole-2-carbohydrazides and thiazolidinyl-indole-2-carboxamides as potent tubulin polymerization inhibitors.
Comput. Biol. Chem., 2019
A chemical language based approach for protein - ligand interaction prediction.
CoRR, 2018
DeepDTA: deep drug-target binding affinity prediction.
Bioinform., 2018
A novel methodology on distributed representations of proteins using their interacting ligands.
Bioinform., 2018
Sphingosine kinase 1 (SK1) allosteric inhibitors that target the dimerization site.
Comput. Biol. Chem., 2017
A comparative study of SMILES-based compound similarity functions for drug-target interaction prediction.
BMC Bioinform., 2016
Identification of potential Tpx inhibitors against pathogen-host interactions.
Comput. Biol. Chem., 2015
Targeting the Akt1 allosteric site to identify novel scaffolds through virtual screening.
Comput. Biol. Chem., 2014
Communication between the active site and the allosteric site in class A beta-lactamases.
Comput. Biol. Chem., 2013