A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models.
- DOI
- 10.1007/s10822-026-00854-x
- Published
- 2026-06-08
- Container
- J Comput Aided Mol Des
- Publisher
- Not recorded
- Open access
- no
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Cite this work
BibTeX
@article{allodium:10.1007/s10822-026-00854-x,
title = {A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models.},
author = {Banerjee A and Kumar V and Das S and Bhattacharyya P and Ojha PK and Dasgupta I and Gayen S and Chandra Y and Roy PP and Yang S and Li L and Kar S and Bhat-Ambure J and Ambure P and Roy K.},
year = {2026},
journal = {J Comput Aided Mol Des},
doi = {10.1007/s10822-026-00854-x},
url = {https://doi.org/10.1007/s10822-026-00854-x}
}RIS
TY - JOUR TI - A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models. AU - Banerjee A AU - Kumar V AU - Das S AU - Bhattacharyya P AU - Ojha PK AU - Dasgupta I AU - Gayen S AU - Chandra Y AU - Roy PP AU - Yang S AU - Li L AU - Kar S AU - Bhat-Ambure J AU - Ambure P AU - Roy K. PY - 2026 JO - J Comput Aided Mol Des DO - 10.1007/s10822-026-00854-x UR - https://doi.org/10.1007/s10822-026-00854-x ER -
APA
A, B., V, K., S, D., P, B., PK, O., I, D., S, G., Y, C., PP, R., S, Y., L, L., S, K., J, B., P, A., & K., R. (2026). A round-robin exercise for the precise prediction of aqueous solubility of organic chemicals using chemometric, machine learning, and stacking ensemble of deep learning models.. J Comput Aided Mol Des. https://doi.org/10.1007/s10822-026-00854-x
Source records
- europe-pmc · retrieved 2026-09-25T22:12:04.935Z