Imputation of Assay Bioactivity Data Using Deep Learning
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical information and modeling"
DOI: 10.1021/acs.jcim.8b00768
Abstract: We describe a novel deep learning neural network method and its application to impute assay pIC50 values. Unlike conventional machine learning approaches, this method is trained on sparse bioactivity data as input, typical of that… read more here.
Keywords: imputation assay; method; deep learning; bioactivity data ... See more keywords
Navigating in vitro bioactivity data by investigating available resources using model compounds
Sign Up to like & getrecommendations! Published in 2019 at "Scientific Data"
DOI: 10.1038/s41597-019-0046-1
Abstract: The number of chemical compounds and associated experimental data in public databases is growing, but presently there is no simple way to access these data in a quick and synoptic manner. Instead, data are fragmented… read more here.
Keywords: bioactivity data; vitro bioactivity; navigating vitro; data investigating ... See more keywords
Illuminating the druggable genome through patent bioactivity data
Sign Up to like & getrecommendations! Published in 2022 at "PeerJ"
DOI: 10.7717/peerj.15153
Abstract: The patent literature is a potentially valuable source of bioactivity data. The SureChEMBL database (https://www.surechembl.org/) is a publicly available large-scale resource that contains compounds extracted on a daily basis from the full text, images and… read more here.
Keywords: genome patent; illuminating druggable; druggable genome; bioactivity data ... See more keywords