Citation Impact
Citing Papers
Deep learning with word embeddings improves biomedical named entity recognition
2017
Reciprocal Regulation of DUSP9 and DUSP16 Expression by HIF1 Controls ERK and p38 MAP Kinase Activity and Mediates Chemotherapy-Induced Breast Cancer Stem Cell Enrichment
2018 StandoutNobel
BioBERT: a pre-trained biomedical language representation model for biomedical text mining
2019 Standout
Image and data mining in reticular chemistry powered by GPT-4V
2024 StandoutNobel
Unified Synthesis of Polycyclic Alkaloids by Complementary Carbonyl Activation**
2021 StandoutNobel
Regulatory T cells in autoimmune kidney diseases and transplantation
2023 StandoutNobel
The role of artificial intelligence in healthcare: a structured literature review
2021 Standout
Phosphorylation of FOXO3a on Ser-7 by p38 Promotes Its Nuclear Localization in Response to Doxorubicin
2011
MicroRNA-132 attenuates cerebral injury by protecting blood-brain-barrier in MCAO mice
2019
An RNA toolbox for cancer immunotherapy
2018
MOFSimplify, machine learning models with extracted stability data of three thousand metal–organic frameworks
2022
PLIP: fully automated protein–ligand interaction profiler
2015 Standout
The Use of Induced Pluripotent Stem Cells in Drug Development
2011 StandoutNobel
AI in health and medicine
2022 Standout
Microscopy-Based High-Content Screening
2015
Vemurafenib in melanoma
2013
Vaccination with Messenger RNA: A Promising Alternative to DNA Vaccination
2020 StandoutNobel
Challenges and advances in computational docking: 2009 in review
2010
A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening
2018
Peptide-based materials for cancer immunotherapy
2019
Molecular Mechanisms of Depression: Perspectives on New Treatment Strategies
2013 Standout
Inflammation and tumor progression: signaling pathways and targeted intervention
2021 Standout
Designing antimicrobial peptides: form follows function
2011 Standout
Simultaneous inhibition of pan-phosphatidylinositol-3-kinases and MEK as a potential therapeutic strategy in peripheral T-cell lymphomas
2012
Application of QSAR and Shape Pharmacophore Modeling Approaches for Targeted Chemical Library Design
2010
Therapeutic opportunities for manipulating TReg cells in autoimmunity and cancer
2012
High content screening: seeing is believing
2010
mRNA vaccine with unmodified uridine induces robust type I interferon-dependent anti-tumor immunity in a melanoma model
2022 StandoutNobel
Compound Library Design for Target Families
2009
Regulatory T cells in the treatment of disease
2018
Crystal structure of the µ-opioid receptor bound to a morphinan antagonist
2012 StandoutNatureNobel
Cellpose: a generalist algorithm for cellular segmentation
2020 Standout
Polypharmacology rescored: Protein–ligand interaction profiles for remote binding site similarity assessment
2014
Organic reactivity from mechanism to machine learning
2021
Conformational Selection and Induced Fit Mechanisms in the Binding of an Anticancer Drug to the c-Src Kinase
2016
Functional Inhibitors of Acid Sphingomyelinase (FIASMAs): A Novel Pharmacological Group of Drugs with Broad Clinical Applications
2010
Discovery and resupply of pharmacologically active plant-derived natural products: A review
2015 Standout
Microenvironmental regulation of tumor progression and metastasis
2013 Standout
Unsupervised word embeddings capture latent knowledge from materials science literature
2019 Nature
Age-Associated mRNA and miRNA Expression Changes in the Blood-Brain Barrier
2019 StandoutNobel
Outside the Safe Operating Space of the Planetary Boundary for Novel Entities
2022 Standout
Automatic identification of relevant chemical compounds from patents
2019
Hazard analysis: A deep learning and text mining framework for accident prevention
2020 Standout
Concepts of Artificial Intelligence for Computer-Assisted Drug Discovery
2019
Development of ipilimumab: a novel immunotherapeutic approach for the treatment of advanced melanoma
2013 StandoutNobel
Integrating Structure-Based and Ligand-Based Approaches for Computational Drug Design
2011
Artificial intelligence in drug discovery and development
2020 Standout
MoleculeNet: a benchmark for molecular machine learning
2017 Standout
Better than Random? The Chemotype Enrichment Problem
2009
The Development of Target-Specific Machine Learning Models as Scoring Functions for Docking-Based Target Prediction
2019
Outstanding challenges in protein–ligand docking and structure‐based virtual screening
2011
Picking the Point of Inhibition: A Comparative Review of PI3K/AKT/mTOR Pathway Inhibitors
2014 Standout
Toward a Global Understanding of Chemical Pollution: A First Comprehensive Analysis of National and Regional Chemical Inventories
2020 Standout
Gerüstdiversitätsbasierte Synthese und ihre Anwendung bei der Sonden‐ und Wirkstoffsuche
2016
Molecular Docking and Structure-Based Drug Design Strategies
2015 Standout
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
2012 Standout
Development of Multifunctional Molecules as Potential Therapeutic Candidates for Alzheimer’s Disease, Parkinson’s Disease, and Amyotrophic Lateral Sclerosis in the Last Decade
2018
Catalytic Asymmetric Hydroalkoxylation of C–C Multiple Bonds
2021 StandoutNobel
admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties
2018
An attention-based BiLSTM-CRF approach to document-level chemical named entity recognition
2017
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
PubChem 2023 update
2022 Standout
Digital Reticular Chemistry
2020 StandoutNobel
Molecular Docking: Challenges, Advances and its Use in Drug Discovery Perspective
2018 Standout
Predicting research trends with semantic and neural networks with an application in quantum physics
2020 StandoutNobel
Reactive Oxygen Species (ROS)-Based Nanomedicine
2019 Standout
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
2021 Standout
Enhance the performance of current scoring functions with the aid of 3D protein-ligand interaction fingerprints
2017
Structural Protein–Ligand Interaction Fingerprints (SPLIF) for Structure-Based Virtual Screening: Method and Benchmark Study
2014
Unified Synthesis of Polycyclic Alkaloids by Complementary Carbonyl Activation**
2021 StandoutNobel
Encoding Protein–Ligand Interaction Patterns in Fingerprints and Graphs
2013
Update 1 of: Computational Modeling Approaches to Structure–Function Analysis of G Protein-Coupled Receptors
2011
Understanding Cryptic Pocket Formation in Protein Targets by Enhanced Sampling Simulations
2016
ChatGPT Chemistry Assistant for Text Mining and the Prediction of MOF Synthesis
2023 StandoutNobel
Similarity of Precursors in Solid-State Synthesis as Text-Mined from Scientific Literature
2020
PROLIX: Rapid Mining of Protein–Ligand Interactions in Large Crystal Structure Databases
2012
Scaffold Diversity Synthesis and Its Application in Probe and Drug Discovery
2016
Natural language processing models that automate programming will transform chemistry research and teaching
2022
Works of Obdulia Rabal being referenced
An integrated one-step system to extract, analyze and annotate all relevant information from image-based cell screening of chemical libraries
2010
Identification of LAG3 high affinity aptamers by HT-SELEX and Conserved Motif Accumulation (CMA)
2017
LimTox: a web tool for applied text mining of adverse event and toxicity associations of compounds, drugs and genes
2017
The Markyt visualisation, prediction and benchmark platform for chemical and gene entity recognition at BioCreative/CHEMDNER challenge
2016
MMP10 Promotes Efficient Thrombolysis After Ischemic Stroke in Mice with Induced Diabetes
2018
Design, synthesis and activity as acid ceramidase inhibitors of 2-oxooctanoyl and N-oleoylethanolamine analogues
2006
Chemical Interrogation of FOXO3a Nuclear Translocation Identifies Potent and Selective Inhibitors of Phosphoinositide 3-Kinases
2009
CHEMDNER: The drugs and chemical names extraction challenge
2015
Conformational Selection versus Induced Fit in Kinases: The Case of PI3K‐γ
2011
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
2008
Conformational Selection versus Induced Fit in Kinases: The Case of PI3K‐γ
2011
APIF: A New Interaction Fingerprint Based on Atom Pairs and Its Application to Virtual Screening
2009
Computational Medicinal Chemistry in Fragment-Based Drug Discovery: What, How and When
2010
Information Retrieval and Text Mining Technologies for Chemistry
2017
Blockage of FOXP3 transcription factor dimerization and FOXP3/AML1 interaction inhibits T regulatory cell activity: sequence optimization of a peptide inhibitor
2017
Novel Scaffold Fingerprint (SFP): Applications in Scaffold Hopping and Scaffold-Based Selection of Diverse Compounds
2015
Design, Synthesis, and Biological Evaluation of First-in-Class Dual Acting Histone Deacetylases (HDACs) and Phosphodiesterase 5 (PDE5) Inhibitors for the Treatment of Alzheimer’s Disease
2016