Citation Impact
Citing Papers
antiSMASH 6.0: improving cluster detection and comparison capabilities
2021 Standout
Crippling life support for SARS-CoV-2 and other viruses through synthetic lethality
2020 StandoutNobel
Carotenoids: biochemistry, pharmacology and treatment
2016 Standout
Curcumin, the golden nutraceutical: multitargeting for multiple chronic diseases
2016 Standout
Computational drug repositioning based on side-effects mined from social media
2016
Critical contribution of 3′ non-seed base pairing to the in vivo function of the evolutionarily conserved let-7a microRNA
2022 StandoutNobel
Improved gRNA secondary structures allow editing of target sites resistant to CRISPR-Cas9 cleavage
2022 StandoutNobel
UniChem: extension of InChI-based compound mapping to salt, connectivity and stereochemistry layers
2014
The advantages of the Matthews correlation coefficient (MCC) over F1 score and accuracy in binary classification evaluation
2020 Standout
Targeting repair pathways with small molecules increases precise genome editing in pluripotent stem cells
2018
Literature information in PubChem: associations between PubChem records and scientific articles
2016
Deep-learning: investigating deep neural networks hyper-parameters and comparison of performance to shallow methods for modeling bioactivity data
2017
A drug target slim: using gene ontology and gene ontology annotations to navigate protein-ligand target space in ChEMBL
2016
antiSMASH 7.0: new and improved predictions for detection, regulation, chemical structures and visualisation
2023 Standout
The CompTox Chemistry Dashboard: a community data resource for environmental chemistry
2017
DisGeNET: a comprehensive platform integrating information on human disease-associated genes and variants
2016 Standout
Macrocycle modeling in ICM: benchmarking and evaluation in D3R Grand Challenge 4
2019
Activity, assay and target data curation and quality in the ChEMBL database
2015
The importance of discerning shape in molecular pharmacology
2009
An Integrated Data Driven Approach to Drug Repositioning Using Gene-Disease Associations
2016
A comprehensive map of molecular drug targets
2016 Standout
Programmatic access to bioinformatics tools from EMBL-EBI update: 2017
2017
Prediction of Druggable Proteins Using Machine Learning and Systems Biology: A Mini-Review
2015
In Silico Target Prediction for Small Molecules
2018
Tools for in silico target fishing
2014
Trends in GPCR drug discovery: new agents, targets and indications
2017 Standout
WITHDRAWN—a resource for withdrawn and discontinued drugs
2015
Machine learning for molecular and materials science
2018 StandoutNature
STITCH 5: augmenting protein–chemical interaction networks with tissue and affinity data
2015
Nano based drug delivery systems: recent developments and future prospects
2018 Standout
Database resources of the National Center for Biotechnology Information: update
2003 Standout
Selection of protein conformations for structure-based polypharmacology studies
2018
A structure-based computational workflow to predict liability and binding modes of small molecules to hERG
2020 StandoutNobel
Virus-host interactomics: new insights and opportunities for antiviral drug discovery
2014
Designing antimicrobial peptides: form follows function
2011 Standout
PubChem BioAssay: 2017 update
2016
SureChEMBL: a large-scale, chemically annotated patent document database
2015
PubChem Substance and Compound databases
2015 Standout
A Molecular Pharmacologist’s Guide to G Protein–Coupled Receptor Crystallography
2015
A Web Resource for Standardized Benchmark Datasets, Metrics, and Rosetta Protocols for Macromolecular Modeling and Design
2015
SwissTargetPrediction: a web server for target prediction of bioactive small molecules
2014
The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands
2015
The secondary metabolite bioinformatics portal: Computational tools to facilitate synthetic biology of secondary metabolite production
2016
Pharmacophore-based screening and drug repurposing exemplified on glycogen synthase kinase-3 inhibitors
2017
In silico methods to address polypharmacology: current status, applications and future perspectives
2015
Evolving BioAssay Ontology (BAO): modularization, integration and applications
2014
BindingDB in 2015: A public database for medicinal chemistry, computational chemistry and systems pharmacology
2015
Computational investigations of hERG channel blockers: New insights and current predictive models
2015
The ChEMBL database in 2017
2016 Standout
Counting on natural products for drug design
2016
10 Years of GWAS Discovery: Biology, Function, and Translation
2017 Standout
Applications of machine learning in drug discovery and development
2019 Standout
A Pragmatic Guide to Enrichment Strategies for Mass Spectrometry–Based Glycoproteomics
2020 StandoutNobel
ChEMBL web services: streamlining access to drug discovery data and utilities
2015
A large-scale crop protection bioassay data set
2015
SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules
2017 Standout
vNN Web Server for ADMET Predictions
2017
WormBase ParaSite − a comprehensive resource for helminth genomics
2016
Advances in the Development of Shape Similarity Methods and Their Application in Drug Discovery
2018
Beyond the hype: deep neural networks outperform established methods using a ChEMBL bioactivity benchmark set
2017
Getting the most out of PubChem for virtual screening
2016
In silico prediction of novel therapeutic targets using gene–disease association data
2017
Genome-Based Taxonomic Classification of the Phylum Actinobacteria
2018 Standout
Computational approaches to natural product discovery
2015
The IUPHAR/BPS Guide to PHARMACOLOGY in 2018: updates and expansion to encompass the new guide to IMMUNOPHARMACOLOGY
2017 Standout
Cell Surface Proteomics of N‐Linked Glycoproteins for Typing of Human Lymphocytes
2017
Automatic identification of relevant chemical compounds from patents
2019
Artificial intelligence in drug discovery and development
2020 Standout
De Novo Design of Bioactive Small Molecules by Artificial Intelligence
2018
AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python Bindings
2021 Standout
The Development of Target-Specific Machine Learning Models as Scoring Functions for Docking-Based Target Prediction
2019
Large-scale comparison of machine learning methods for drug target prediction on ChEMBL
2018
The EMBL-EBI search and sequence analysis tools APIs in 2019
2019 Standout
Recent applications of deep learning and machine intelligence on in silico drug discovery: methods, tools and databases
2018
Development of Ligand‐based Big Data Deep Neural Network Models for Virtual Screening of Large Compound Libraries
2018
Toward a Global Understanding of Chemical Pollution: A First Comprehensive Analysis of National and Regional Chemical Inventories
2020 Standout
Molecular Docking and Structure-Based Drug Design Strategies
2015 Standout
Gene-set analysis based on the pharmacological profiles of drugs to identify repurposing opportunities in schizophrenia
2016
Longer metaphase and fewer chromosome segregation errors in modern human than Neanderthal brain development
2022 StandoutNobel
ProTox-II: a webserver for the prediction of toxicity of chemicals
2018 Standout
Can Invalid Bioactives Undermine Natural Product-Based Drug Discovery?
2015
SwissTargetPrediction: updated data and new features for efficient prediction of protein targets of small molecules
2019 Standout
Per- and Polyfluoroalkyl Substance Toxicity and Human Health Review: Current State of Knowledge and Strategies for Informing Future Research
2020 Standout
Molecular Docking: Shifting Paradigms in Drug Discovery
2019 Standout
PubChem 2023 update
2022 Standout
g:Profiler: a web server for functional enrichment analysis and conversions of gene lists (2019 update)
2019 Standout
Information Retrieval and Text Mining Technologies for Chemistry
2017
MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data
2014
STRING v11: protein–protein association networks with increased coverage, supporting functional discovery in genome-wide experimental datasets
2018 Standout
The Essential Roles of Chemistry in High-Throughput Screening Triage
2014
PubChem 2019 update: improved access to chemical data
2018 Standout
SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening
2016
MetaboAnalyst 4.0: towards more transparent and integrative metabolomics analysis
2018 Standout
On hyperparameter optimization of machine learning algorithms: Theory and practice
2020 Standout
Classifiers and their Metrics Quantified
2018
Simultaneous precise editing of multiple genes in human cells
2019 StandoutNobel
ADMETlab 2.0: an integrated online platform for accurate and comprehensive predictions of ADMET properties
2021 Standout
The Atacama Desert: Technical Resources and the Growing Importance of Novel Microbial Diversity
2016
The Rosetta All-Atom Energy Function for Macromolecular Modeling and Design
2017 StandoutNobel
Natural Products as Sources of New Drugs from 1981 to 2014
2016 Standout
2020 Standout
Protein homology reveals new targets for bioactive small molecules
2015
PubChem in 2021: new data content and improved web interfaces
2020 Standout
iDTi-CSsmoteB: Identification of Drug–Target Interaction Based on Drug Chemical Structure and Protein Sequence Using XGBoost With Over-Sampling Technique SMOTE
2019
Chemistry: Chemical con artists foil drug discovery
2014 StandoutNature
The Essential Medicinal Chemistry of Curcumin
2017 Standout
Natural Products for Drug Discovery in the 21st Century: Innovations for Novel Drug Discovery
2018
ZINC 15 – Ligand Discovery for Everyone
2015 Standout
Works of Lora Mak being referenced
Metrabase: a cheminformatics and bioinformatics database for small molecule transporter data analysis and (Q)SAR modeling
2015
An extension of spherical harmonics to region-based rotationally invariant descriptors for molecular shape description and comparison
2007
The ChEMBL bioactivity database: an update
2013
Anti-cancer Drug Development: Computational Strategies to Identify and Target Proteins Involved in Cancer Metabolism
2012