Practical application of the Average Information Content Maximization (AIC-MAX) algorithm: selection of the most important structural features for serotonin receptor ligands

The Average Information Content Maximization algorithm (AIC-MAX) based on mutual information maximization was recently introduced to select the most discriminatory features. Here, this methodology was applied to select the most significant bits from the Klekota-Roth fingerprint for serotonin receptors ligands as well as to select the most important features for distinguishing ligands with activity for one receptor versus another. The interpretation of selected bits and machine-learning experiments performed using the reduced interpretations outperformed the raw fingerprints and indicated the most important structural features of the analyzed ligands in terms of activity and selectivity. Moreover, the AIC-MAX methodology applied here for serotonin receptor ligands can also be applied to other target classes.     

The Effect of Chronic Exposure to Artificial UVB Radiation on the Survival and Reproduction of Daphnia magna Across Two Generations

We examined the effects of daily (chronic) exposure to artificial UVB radiation on the survival and reproduction of Daphnia   magna over two generations. Control and experimental animals in each generation (parental and F1) were exposed to 16 h of UVA radiation and photosynthetically active radiation daily. In addition, experimental animals were exposed to 6 h of UVB during the middle of the light period. Survival and reproduction were followed for 12 days for each individual. Survival and production of F1 were significantly lower in the UVB exposed parental generation Daphnia than in controls. F1 exposure to UVB significantly decreased F1 survival and reproduction. Reproduction was lowest in UVB exposed F1 animals whose parents were also exposed to UVB. Adverse effects of UVB on offspring production may be magnified in successive generations suggesting that short-term experiments could underestimate the impact of increased UVB exposure on populations.