专题:History and advancements in chemistry

This cluster of papers focuses on the application of partially ordered sets in chemistry research, particularly in the context of ranking chemical substances, multi-criteria analysis, and sustainable development goals. It explores topics such as the periodic table, quantitative superstructure/activity relationships, environmental health, and decision support systems.
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Rings in Clinical Trials and Drugs: Present and Future

article Full Text OpenAlex 483 FWCI44.5745

Chemistry and industry

article Full Text OpenAlex 441 FWCI0.289

Leveraging large language models for predictive chemistry

article Full Text OpenAlex 371 FWCI34.7136

The E factor at 30: a passion for pollution prevention

article Full Text OpenAlex 346 FWCI28.1898

polyBERT: a chemical language model to enable fully machine-driven ultrafast polymer informatics

article Full Text OpenAlex 280 FWCI19.6116

SELFIES and the future of molecular string representations

article Full Text OpenAlex 263 FWCI25.961

Knowledge graph-enhanced molecular contrastive learning with functional prompt

article Full Text OpenAlex 232 FWCI30.4715

Machine Learning for Chemical Reactivity: The Importance of Failed Experiments

article Full Text OpenAlex 218 FWCI12.0629

Small molecules and their impact in drug discovery: A perspective on the occasion of the 125th anniversary of the Bayer Chemical Research Laboratory

article Full Text OpenAlex 200 FWCI19.909

admetSAR3.0: a comprehensive platform for exploration, prediction and optimization of chemical ADMET properties

article Full Text OpenAlex 195 FWCI37.7873