There shall be three papers – Papers 1, 2 and 3 all of which must be taken. Paper 1 and 2 shall be a composite paper to be taken at one sitting. PAPER 1: Will consist of fifty multiple choice objective questions drawn from Section A of the syllabus (ie the portion of the syllabus...
[Sep 2023] We released the second version (v2) of our paper, we added extra LLMs(GPT-4, GPT-3.5, Davinci-003, LLama2, Galactica)experiments; more baselines, and more investigations onSELFIES, and label interpretation! [May 2023] We released the first version (v1) of our paper! Very...
Collection 09 October 2024 Nobel Prize in Chemistry 2024The 2024 Nobel Prize in Chemistry has been awarded to David Baker “for computational protein design” and to Demis Hassabis and John M. Jumper “for protein structure prediction”. Proteins are life’s essential building blocks, nature’s ...
Studying photocatalytic dye degradation with bismuth nitrate–derived catalysts using paper microzones method Xian Liu, Shihao Shen, Chengxiang Xu, Xiaoya Li, ... Xun Wang Article 100667 Article preview select article Facile synthesis of N-doped carbon nanotubes grafted on N-doped carbon nanosheets co...
Graph neural networks (GNNs) have been widely used in molecular property prediction, but explaining their black-box predictions is still a challenge. Most existing explanation methods for GNNs in chemistry focus on attributing model predictions to indivi
Prediction of Drainage Chemistry in Post-Mining Landscapes Using Operational Monitoring DataStudies at numerous minesites around the world have shown that post-mining drainage chemistry depends strongly on geochemical and hydrogeologic processes that occur during the operational years. Many of these ...
atomic mass unit (amu)- 1/12th the mass of an unbound atom of carbon-12, used to represent atomic and molecular masses. atomic number- the number of protons in the nucleus of an atom of an element. atomic radius- value used to describe the size of an atom, usually half the distance...
Review of "Handbook of Parameter Values for the Prediction of Radionuclide Transfer in Terrestrial and Freshwater Environments" This impressive volume, formally published in 2010, is the long-awaited revision of IAEA Technical Reports Series No 364. The work was begun in 2003 under the framework of...
ChemBERTa: A collection of BERT-like models applied to chemical SMILES data for drug design, chemical modelling, and property prediction. To be presented atBaylearnand theRoyal Society of Chemistry's Chemical Science Symposium. Tutorial ArXiv ChemBERTa-2 Paper ...
Because n c≈ 1, it will not influence the order of the magnitude of our discussion. For simplicity, we explicitly drop n c throughout this paper. Later, whenever we write c in an expression we should replace it with c/n c, in principle. When k ‖ = 0 (or θ = 0), the ...