Improved understanding of aqueous solubility modeling through topological data analysis

Mariam Pirashvili^*, Lee Steinberg, Guillamon F Belchi, Mahesan Niranjan, Jeremy G. Frey, Jacek Brodzki

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

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@article{7d00e168ab954196bde84a0d49c4e063,

title = "Improved understanding of aqueous solubility modeling through topological data analysis",

author = "Mariam Pirashvili and Lee Steinberg and Belchi, {Guillamon F} and Mahesan Niranjan and Frey, {Jeremy G.} and Jacek Brodzki",

year = "2018",

month = dec,

doi = "10.1186/s13321-018-0308-5",

language = "English",

volume = "10",

journal = "Journal of Cheminformatics",

issn = "1758-2946",

publisher = "Chemistry Central",

number = "1",

}

TY - JOUR

T1 - Improved understanding of aqueous solubility modeling through topological data analysis

AU - Pirashvili, Mariam

AU - Steinberg, Lee

AU - Belchi, Guillamon F

AU - Niranjan, Mahesan

AU - Frey, Jeremy G.

AU - Brodzki, Jacek

PY - 2018/12

Y1 - 2018/12

U2 - 10.1186/s13321-018-0308-5

DO - 10.1186/s13321-018-0308-5

M3 - Article

SN - 1758-2946

VL - 10

JO - Journal of Cheminformatics

JF - Journal of Cheminformatics

IS - 1

ER -