RESUMEN
Summary: The SynAI solution is a flexible AI-driven drug synergism prediction solution aiming to discover potential therapeutic value of compounds in early stage. Rather than providing a finite choice of drug combination or cell lines, SynAI is capable of predicting potential drug synergism/antagonism using in silico compound SMILE (Simplified Molecular Input Line Entry System) sequences. The AI core of SynAI platform has been trained against cell lines and compound pairs listed by NCI (National Cancer Institute)-Almanac and DurgCombDB datasets. In total, the training data consists of over 1 200 000 in vitro synergism tests on 150 cancer cell lines of different organ origins. Each cell line is tested against over 6000 pairs of FDA (Food and Drug Administration) approved compound combinations. Given one or both candidate compound in SMILE sequence, SynAI is able to predict the potential Bliss score of the combined compound test with the designated cell line without the needs of compound synthetization or structural analysis; thus can significantly reduce the candidate screening costs during the compound development. SynAI platform demonstrates a comparable performance to existing methods but offers more flexibilities for data input. Availability and implementation: The evaluation version of SynAI is freely accessible online at https://synai.crownbio.com.