Science expresses concern over controversial chemistry paper'RNA nanoconstruction' has been the focus of a decade-long controversy.doi:10.1038/NATURE.2016.19215Alexandra WitzeNature Publishing Group
Since the Superfast Traversal, Optimization, Novelty, Exploration, and Discovery (STONED) method enables rapid exploration of chemical space without a pre-trained generative model, some interpretability methods combined with STONED can guide structure optimization7,28,29. And the functional group attributio...
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 ...
Rocket science factoid: Although ClF3 is “happy” that the valence shell of each atom is filled, all of them would be much happier if they could each get an electron from something other than another member of the halogen group. A halogen would much prefer a metal to share its electrons...
The CO concentrations reported in this paper were determined by collection of discrete air samples in flasks with subsequent analysis in the laboratory, in addition to continuous measurements. GC/HgO, which refers to gas chromatography combined with mercury oxide (HgO) reduction detection, was used ...
建议一上研究生就开始去规划相关的科研,去实验室和自己的导师搞好关系家庭条件允许的话美硕是一个好的跳板,也有助于你拿到美国教授的推荐信~什么样的paper算是对申请有帮助的,最好是类似子SCI 顶会级别 (Nature/science)的话含金量会高一些或者至少是1作的文章。不然水刊没办法证明你的学术能力.说白了,你要往...
This paper investigates the worst-case analytical errors, mainly addressed through finite element modelling and further supported by experimental data. The specific case of a two-electrode mediated amperometric biosensor utilizing Ag/AgCl as a combined counter and pseudo-reference electrode was modelled ...
Open Source provides a unique opportunity for commercial organisations to work with the cheminformatics community. Traditional business models rely on monetisation of source code, causing companies to repeat work done by other companies. This model is sometimes combined with a free (gratis) model for ...
Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical properties, they do not
encoder sequences with the highest relevance to the current decoding task. This context vector, combined with the current input, forms a feature-rich tensor that is subsequently processed by an LSTM layer. Post-LSTM, the output layer is passed through a fully connected layer with a leaky ReLU...