Bridging informatics and medicinal inorganic chemistry: Toward a database of metallodrugs and metallodrug candidates
Published 2022 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Bridging informatics and medicinal inorganic chemistry: Toward a database of metallodrugs and metallodrug candidates
Authors
Keywords
Chemical space, Chemoinformatics, Compound databases, Metal-based compound, Metallodrugs, Medicinal inorganic chemistry, Structure–activity relationships
Journal
DRUG DISCOVERY TODAY
Volume 27, Issue 5, Pages 1420-1430
Publisher
Elsevier BV
Online
2022-02-25
DOI
10.1016/j.drudis.2022.02.021
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Informatics for Chemistry, Biology, and Biomedical Sciences
- (2021) Edgar López-López et al. Journal of Chemical Information and Modeling
- Ab Initio Machine Learning in Chemical Compound Space
- (2021) Bing Huang et al. CHEMICAL REVIEWS
- Physics-Inspired Structural Representations for Molecules and Materials
- (2021) Felix Musil et al. CHEMICAL REVIEWS
- Progress on open chemoinformatic tools for expanding and exploring the chemical space
- (2021) José L. Medina-Franco et al. JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN
- Natural product drug discovery in the artificial intelligence era
- (2021) F. I. Saldívar-González et al. Chemical Science
- Chemistry in Times of Artificial Intelligence
- (2020) Johann Gasteiger CHEMPHYSCHEM
- Metallo therapeutics for COVID-19. Exploiting metal-based compounds for the discovery of new antiviral drugs
- (2020) Damiano Cirri et al. Expert Opinion on Drug Discovery
- Machine learning for chemical discovery
- (2020) Alexandre Tkatchenko Nature Communications
- All-atom simulations to studying metallodrugs/target interactions
- (2020) Pavel Janoš et al. CURRENT OPINION IN CHEMICAL BIOLOGY
- The next level in chemical space navigation: going far beyond enumerable compound libraries
- (2019) Torsten Hoffmann et al. DRUG DISCOVERY TODAY
- Identification Schemes for Metal–Organic Frameworks To Enable Rapid Search and Cheminformatics Analysis
- (2019) Benjamin J. Bucior et al. CRYSTAL GROWTH & DESIGN
- Classification of Metal-Based Drugs according to Their Mechanisms of Action
- (2019) Eszter Boros et al. Chem
- Metallopharmaceuticals in Therapy - A New Horizon for Scientific Research
- (2018) Agnieszka Chylewska et al. CURRENT MEDICINAL CHEMISTRY
- Using SMILES strings for the description of chemical connectivity in the Crystallography Open Database
- (2018) Miguel Quirós et al. Journal of Cheminformatics
- Metal–ligand interactions in drug design
- (2018) Laura Riccardi et al. Nature Reviews Chemistry
- Metal Compounds against Neglected Tropical Diseases
- (2018) Yih Ching Ong et al. CHEMICAL REVIEWS
- PubChem 2019 update: improved access to chemical data
- (2018) Sunghwan Kim et al. NUCLEIC ACIDS RESEARCH
- DrugCentral 2018: an update
- (2018) Oleg Ursu et al. NUCLEIC ACIDS RESEARCH
- ChEMBL: towards direct deposition of bioassay data
- (2018) David Mendez et al. NUCLEIC ACIDS RESEARCH
- MetalPDB in 2018: a database of metal sites in biological macromolecular structures
- (2017) Valeria Putignano et al. NUCLEIC ACIDS RESEARCH
- DrugBank 5.0: a major update to the DrugBank database for 2018
- (2017) David S Wishart et al. NUCLEIC ACIDS RESEARCH
- NuBBEDB: an updated database to uncover chemical and biological information from Brazilian biodiversity
- (2017) Alan C. Pilon et al. Scientific Reports
- Trust, but Verify II: A Practical Guide to Chemogenomics Data Curation
- (2016) Denis Fourches et al. Journal of Chemical Information and Modeling
- The FAIR Guiding Principles for scientific data management and stewardship
- (2016) Mark D. Wilkinson et al. Scientific Data
- Metallodrugs in Medicinal Inorganic Chemistry
- (2014) Katja Dralle Mjos et al. CHEMICAL REVIEWS
- Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform
- (2014) M. Álvarez-Moreno et al. Journal of Chemical Information and Modeling
- A Perspective on Computational Chemogenomics
- (2013) Jürgen Bajorath Molecular Informatics
- Freely Accessible Databases of Commercial Compounds For High- Throughput Virtual Screenings
- (2012) Armenio Jorge Moura Barbosa et al. CURRENT TOPICS IN MEDICINAL CHEMISTRY
- HELM: A Hierarchical Notation Language for Complex Biomolecule Structure Representation
- (2012) Tianhong Zhang et al. Journal of Chemical Information and Modeling
- Escape from Flatland 2: complexity and promiscuity
- (2012) Frank Lovering MedChemComm
- Trust, But Verify: On the Importance of Chemical Structure Curation in Cheminformatics and QSAR Modeling Research
- (2010) Denis Fourches et al. Journal of Chemical Information and Modeling
- Compound bioactivities go public
- (2010) Andreas Bender Nature Chemical Biology
- Targeting proteins with metal complexes
- (2009) Eric Meggers CHEMICAL COMMUNICATIONS
- Escape from Flatland: Increasing Saturation as an Approach to Improving Clinical Success
- (2009) Frank Lovering et al. JOURNAL OF MEDICINAL CHEMISTRY
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreAdd your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload Now