Despite significant progress in medicinal chemistry and life sciences research, drug discovery and development remain slow and expensive, taking on average approximately 15 years and US$2 billion to ...

Computer-aided drug design (CADD) that combines computational chemistry, molecular modeling, and rational drug design with artificial intelligence (AI) and machine learning is rapidly changing the ...

SwRI developed a large language model called Generative Approaches for Molecular Encodings (GAMES) to generate Simplified Molecular Input Line Entry System (SMILES) strings, which offer a text-based ...

How are we improving the way the field of drug discovery creates machine learning algorithms to predict a protein’s interactions with a small molecule? The drug development pipeline is a costly and ...

About one-third of all drugs approved by the Food and Drug Administration target the largest family of cell membrane receptors called G protein-coupled receptors (GPCRs). GPCRs are indispensable for ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

SwRI’s new GAMES model turns molecular text into smarter drug candidates, offering a faster and more accurate path to breakthrough therapies. SwRI developed a large language model called Generative ...