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© April 10, 2005; adnotated July 19, 2022 Lorentz JÄNTSCHI

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Leave-one-out cross-validation (abbreviated as loo-cv or cv-loo) is an internal cross validation technique (for futher details please see ref.1).
loo-cv is the first (m = 1) in the series of leave-many-out cross-validation (lmo-cv) and it is a alternative with 100% results reproducibility to k-fold cross-validation.
Employ n training sets and from each of these one compound is excluded. For each training set a model is obtained and then it is used to predict the property/activity of excluded compound.
The program apply leave-one-out algorithm for predicted dependent variable.
Please input (or copy/paste) data in Textbox, with 'space' or 'tab' separator between columns and 'enter' separator between rows as in sample data.

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0.3782 PCB035 143.67 -2.9513 0.4738 PCB036 141.95 -2.9517 0.4375 PCB037 143.98 -2.9575 0.4858 PCB038 144.95 -2.9018 0.5102 PCB039 142.13 -2.9587 0.4488 PCB040 141.79 -3.0255 0.5102 PCB041 142.20 -3.0078 0.499 PCB042 140.81 -3.0324 0.487 PCB043 140.74 -3.0015 0.4587 PCB044 140.86 -3.0208 0.4832 PCB045 141.71 -2.9477 0.4334 PCB046 141.30 -2.9745 0.445 PCB047 139.96 -3.0381 0.4639 PCB048 141.30 -3.0027 0.4651 PCB049 139.89 -3.0274 0.461 PCB050 140.38 -2.9636 0.4007 PCB051 140.51 -2.9777 0.4242 PCB052 139.93 -3.0156 0.4557 PCB053 140.35 -2.9670 0.4187 PCB054 141.12 -2.9114 0.38 PCB055 141.20 -3.0914 0.5562 PCB056 141.37 -3.1016 0.5676 PCB057 139.95 -3.0800 0.5515 PCB058 139.53 -3.1049 0.5267 PCB059 140.56 -3.0287 0.486 PCB060 141.20 -3.0914 0.5676 PCB061 142.89 -3.0272 0.5331 PCB062 142.20 -2.9831 0.4685 PCB063 140.25 -3.0872 0.529 PCB064 141.08 -3.0320 0.4999 PCB065 142.20 -2.9716 0.4671 PCB066 140.33 -3.1075 0.5447 PCB067 140.32 -3.0814 0.5214 PCB068 138.35 -3.1119 0.504 PCB069 139.06 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-3.7579 0.9423 PCB208 128.24 -3.7470 0.932 PCB209 126.70 -3.8963 1.0496

No intercept

Ref.:
1. Bolboaca, S.D.; Jäntschi, L. Modelling the property of compounds from structure: statistical methods for models validation. Environmental Chemistry Letters 2008, 6(3), 175 - 181. DOI 10.1007/s10311-007-0119-9