R: database tables can be read directly into dataframes, lists, etc. for use with linear models, plot and other R functions.
require("RODBC");
channel = odbcConnect("localhost", uid="tj", pwd="password",
case="postgresql", believeNRows = FALSE);
| sql = "Select logp from training_set"; propval = sqlQuery(channel, sql, max=0); sql = "Select smarts, count_matches(smiles,smarts) from training_set, atom_types where train_freq > 10"; counts = sqlQuery(channel, sql, max=0); .... propfit = lm(data.frame(propval,counts)); plot(x=fitted(propfit), y=propval$logp, ylab='experimental value', xlab='predicted value'); |
sql = "Select logp,glogp(smiles) from xlogp.test_set
order by logp desc"; logp = sqlQuery(channel, sql, max=0); plot(logp); |
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