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Bayesian optimization for conformer generation.
Chan L, Hutchison GR, Morris GM. Chan L, et al. Among authors: morris gm. J Cheminform. 2019 May 21;11(1):32. doi: 10.1186/s13321-019-0354-7. J Cheminform. 2019. PMID: 31115707 Free PMC article.
Understanding Conformational Entropy in Small Molecules.
Chan L, Morris GM, Hutchison GR. Chan L, et al. Among authors: morris gm. J Chem Theory Comput. 2021 Apr 13;17(4):2099-2106. doi: 10.1021/acs.jctc.0c01213. Epub 2021 Mar 24. J Chem Theory Comput. 2021. PMID: 33759518
Exploring QSAR models for activity-cliff prediction.
Dablander M, Hanser T, Lambiotte R, Morris GM. Dablander M, et al. Among authors: morris gm. J Cheminform. 2023 Apr 17;15(1):47. doi: 10.1186/s13321-023-00708-w. J Cheminform. 2023. PMID: 37069675 Free PMC article.
255 results