SciencePapers

Digital Discovery Kohulan Rajan, Christoph Steinbeck and Achim Zielesny Digital Discovery, 2022, 1, 84 InChI DOI: 10.1039/d1dd00013f

Object approach to the organic molecule representation Yehor S. Malets Science

Pharmaceutical pollution: Prediction of environmental concentrations from national wholesales data Samuel A. Welch, Kristine Olsen, Mohammad Nouri Sharikabad, Knut Erik Tollefsen, Merete Grung Open Res Europe 2:71 (2022). Science https://doi.org/10.12688/openreseurope.14129.1

The Next Frontier of Environmental Unknowns: Substances of Unknown or Variable Composition, Complex Reaction Products, or Biological Materials (UVCBs) Adelene Lai, Alex M. Clark, Beate I. Escher, Marc Fernandez, Leah R. McEwen, Zhenyu Tian, Zhanyun Wang, Emma L. Schymanski Environ. Sci. Technol. 2022. Science https://doi.org/10.1021/acs.est.2c00321

Uni-Mol: A Universal 3D Molecular Representation Learning Framework GengmoZhou1,2∗, ZhifengGao2∗†,QiankunDing2,HangZheng2 Hongteng Xu1, Zhewei Wei1, Linfeng Zhang2,3, Guolin Ke2 ChemRxiv. Cambridge: Cambridge Open Engage; 2022; This content is a preprint and has not been peer-reviewed Development https://doi.org/10.26434/chemrxiv-2022-jjm0j

The LOTUS initiative for open knowledge management in natural products research Adriano Rutz, Maria Sorokina, Jakub Galgonek, Daniel Mietchen, Egon Willighagen, Arnaud Gaudry, James G Graham, Ralf Stephan, Roderic Page, Jiří Vondrášek, Christoph Steinbeck, Guido F Pauli, Jean-Luc Wolfender, Jonathan Bisson Is a corresponding author , Pierre-Marie Allard research eLife 11:e70780 (2022).https://doi.org/10.7554/eLife.70780 Overview https://doi.org/10.7554/eLife.70780

CrystalNets. jl: Identification of Crystal Topologies Lionel Zoubritzky and François-Xavier Coudert ChemRxiv. Cambridge: Cambridge Open Engage; 2022; This content is a preprint and has not been peer-reviewed. Science https://doi.org/10.26434/chemrxiv-2022-bl6mf

Nutrient concentrations in food display universal behavior G Menichetti, AL Barabási Nature Food volume 3, pages 375–382 (2022) Science https://www.nature.com/articles/s43016-022-00511-0

MolMiner: You only look once for chemical structure recognition Y Xu, J Xiao, CH Chou, J Zhang, J Zhu, Q Hu, H Li, Ningsheng Han, Bingyu Liu, Shuaipeng Zhang, Jinyu Han, Zhen Zhang, Shuhao Zhang, Weilin Zhang, Luhua Lai, Jianfeng Pei arXiv:2205.11016v1 Development https://doi.org/10.48550/arXiv.2205.11016

CAS Common Chemistry in 2021: Expanding Access to Trusted Chemical Information for the Scientific Community Andrea Jacobs, Dustin Williams, Katherine Hickey, Nathan Patrick, Antony J. Williams, Stuart Chalk, Leah McEwen, Egon Willighagen, Martin Walker, Evan Bolton, Gabriel Sinclair, Adam Sanford J. Chem. Inf. Model. 2022, XXXX, XXX, XXX-XXX InChI https://doi.org/10.1021/acs.jcim.2c00268