Official websites use .gov
A
.gov website belongs to an official
government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you've safely
connected to the .gov website. Share sensitive
information only on official, secure websites.
Models built on the training set collected here and validated on the Franco data set using single-feature (Equation (2)) and double-feature (Equation (4)) logistic regression (LogReg) models. The sizes of the collected and Franco sets are equal to 100 molecular pairs.
| Model Type | Variables | Fit | Validation | ||
|---|---|---|---|---|---|
| Ncorrect | ROCAUC | Ncorrect | ROCAUC | ||
| single-feature | tXT | 81 | 0.920 | 92 | 0.988 |
| tCS | 70 | 0.845 | 92 | 0.970 | |
| double-feature | tXT, tCS | 84 | 0.924 | 95 | 0.988 |
