Drug discovery is a very long and expensive process. The average time from FDA application to approval of drugs is 12 years, and the estimated average cost of taking a new drug from concept to market exceeds $1 billion. Of up to 10,000 compounds tested, only one may end up becoming a drug that reaches the market.
PharmaceuticAI was developed to help make this process more time/cost effective, via an iterative process that uses multiple models to generate the best inhibitor for a given target protein.
Drug-like Compounds Dataset - ChEMBL (a manually curated database of bioactive molecules with drug-like properties)
IC50 Dataset - Davis Dataset and KIBA Dataset