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PubChem, a part of the NCBI, provides information about the biological activities of small »
Fast & efficient plasmonic excitations in metallic nanoparticles 
Comparison and improvement of the predictability and interpretability with ensemble learning models in QSPR applications 
Introducing PubChem Pathway Pages 
Building on the Fragments From the Diamond/XChem SARS-CoV-2 Main Protease (MPro) Fragment Screen (Part II) Structure-Base Evaluation of Expanded Fragments 
Molecular property links to SpringerMaterials are now in PubChem 
Tackling SARS-CoV-2 with big data 
Building on the Fragments From the Diamond/XChem SARS-CoV-2 Main Protease (MPro) Fragment Screen (Part I) 
Integration of WIPO’s PATENTSCOPE data with PubChem 
Accurate optical spectra of semi-conductors and insulators 
Benchmarking "One Molecular Fingerprint to Rule Them All" 
COVER: conformational oversampling as data augmentation for molecules 
Transformer-CNN: Swiss knife for QSAR modeling and interpretation 
new paper: "Wikidata as a knowledge graph for the life sciences" 
COVID-19 update: Working from home 
SARS-CoV-2, stuck at home, flu, and snowstorms 
Webinar on current access to TOXNET resources 
ADMET evaluation in drug discovery. 20. Prediction of breast cancer resistance protein inhibition through machine learning