#RobSelects preprint of the week #ChemRxiv: Expanding ALFABET for the prediction of bond dissociation energies of organic molecules with heteroatoms including sulfur, phosphorus, and the halogens. #aichem https://doi.org/10.26434/chemrxiv-2023-d147w

#RobSelects preprint of the week #ChemRxiv: Learning implicit molecule scoring functions from expert annotations of pairwise comparisons. #aichem https://doi.org/10.26434/chemrxiv-2023-knwnv-v2

#RobSelects preprint of the week #ChemRxiv: Systematic investigation of uncertainty sources in molecular machine learning datasets. #aichem https://doi.org/10.26434/chemrxiv-2023-00vcg

#RobSelects paper of the week #digital_rsc: Solving problems in chemistry with large language models via code generation. #aichem https://doi.org/10.1039/D2DD00087C

#RobSelects preprint of the week #ChemRxiv: Explaining neural network predictions for the smell of molecules with natural language in terms of structural features. #aichem https://doi.org/10.26434/chemrxiv-2022-vs838

#RobSelects paper of the week #J_A_C_S: Developing a machine learning classifier based on a quantum chemistry representation to guide the discovery of organic electrochemical reactions. #aichem https://doi.org/10.1021/jacs.2c08997