Predictive modeling of toxicity is a crucial step in the drug discovery pipeline. It can help filter out molecules with a high probability of failing in the early stages of de novo drug design. Thus, ...

Using Deep Graph Neural Networks Improves Physics-Based Hydration Free Energy Predictions Even for Molecules Outside of the Training Set Distribution ...

Sea ice data is updated daily, with a one-day lag. On occasion, there is data delay which is usually resolved within a few days. The orange line in extent and concentration images (left and middle) ...

We describe a novel approach to interpret a polar code as a low-density parity-check (LDPC)-like code with an underlying sparse decoding graph. This sparse graph is based on the encoding factor graph ...

The problem of solving max-min fuzzy relation equation is further discussed in this paper. The main matter of solving max-min fuzzy relation equation is to find its whole minimal solutions. Based on ...

This equation is based on modeling of short tubular members with length of 1. 41 meter and therefore the equation is not comprehensive for a wide range of tubes. In order to obtain relationship ...