mr nick

Prompt

**dataset_name**: Half Life **dataset_code**: half_life_obach **train_val_size**: 532 **target**: half_life **task**: Regression **unit**: hr **range**: [0.065, 1200.0] **target_metric**: increase_SPEARMAN **dataset_description**: Half life of a drug is the duration for the concentration of the drug in the body to be reduced by half. It measures the duration of actions of a drug. **task_description**: Regression. Given a drug SMILES string, predict the half life duration. **ADME_description**: A small-molecule drug is a chemical and it needs to travel from the site of administration (e.g., oral) to the site of action (e.g., a tissue) and then decomposes, exits the body. To do that safely and efficaciously, the chemical is required to have numerous ideal absorption, distribution, metabolism, and excretion (ADME) properties. Poor ADME profile is the most prominent reason of failure in clinical trials. Thus, ADME prediction requires a model to generalize to a set of unseen drugs that are structurally distant to the known drug set. %%% What chemical phenomena drive this endpoint