ChEMBL: a large-scale bioactivity database for drug discovery. ChEMBL is an Open Data database containing binding, functional and ADMET information for a large number of drug-like bioactive compounds. These data are manually abstracted from the primary published literature on a regular basis, then further curated and standardized to maximize their quality and utility across a wide range of chemical biology and drug-discovery research problems. Currently, the database contains 5.4 million bioactivity measurements for more than 1 million compounds and 5200 protein targets. Access is available through a web-based interface, data downloads and web services at: https://www.ebi.ac.uk/chembldb.
Keywords for this software
References in zbMATH (referenced in 10 articles )
Showing results 1 to 10 of 10.
- Iliadis, Dimitrios; De Baets, Bernard; Waegeman, Willem: Multi-target prediction for dummies using two-branch neural networks (2022)
- Łukasz Szeremeta; Dominik Tomaszuk: Generating molecular entities as structured data (2021) not zbMATH
- Andrea Mauri: alvaDesc: A Tool to Calculate and Analyze Molecular Descriptors and Fingerprints (2020) not zbMATH
- Beckerleg, Melanie; Thompson, Andrew: A divide-and-conquer algorithm for binary matrix completion (2020)
- Motik, Boris; Nenov, Yavor; Piro, Robert; Horrocks, Ian: Maintenance of datalog materialisations revisited (2019)
- Qin, Xiangju; Blomstedt, Paul; Leppäaho, Eemeli; Parviainen, Pekka; Kaski, Samuel: Distributed Bayesian matrix factorization with limited communication (2019)
- Keith, Jonathan M. (ed.): Bioinformatics. Volume II: structure, function, and applications (2017)
- Yan, Cheng; Wang, Jianxin; Lan, Wei; Wu, Fang-Xiang; Pan, Yi: SDTRLS: predicting drug-target interactions for complex diseases based on chemical substructures (2017)
- Kaalia, Rama; Srinivasan, Ashwin; Kumar, Amit; Ghosh, Indira: ILP-assisted de novo drug design (2016) ioport
- Ellabaan, M. M.; Handoko, S. D.; Ong, Y. S.; Kwoh, C. K.; Bahnassy, S. A.; Elassawy, F. M.; Man, H. Y.: A tree-structured covalent-Bond-driven molecular memetic algorithm for optimization of ring-deficient molecules (2012)