@misc{indiciae18f01484f7e4, title = {Predicting pK(a) by molecular tree structured fingerprints and PLS.}, author = {Li Xing and Robert C Glen and Robert D Clark}, doi = {10.1021/ci020386s}, url = {https://pubmed.ncbi.nlm.nih.gov/12767145/}, note = {Source identifier: 12767145} }