AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
Rajendra P. JoshiKatherine J. SchultzJesse William WilsonAgustin KruelRohith Anand VarikotiChathuri J. KombalaDaniel W. KnellerStephanie GalanieGwyndalyn PhillipsQiu ZhangLeighton CoatesJyothi ParvathareddySurekha SurendranathanYing KongAustin ClydeArvind RamanathanColleen B. JonssonKristoffer R. BrandvoldMowei ZhouMartha S. HeadAndrey KovalevskyNeeraj KumarPublished in: J. Chem. Inf. Model. (2023)
Keyphrases
- knowledge based systems
- artificial intelligence
- case study
- design process
- expert systems
- ai systems
- machine learning
- information systems
- neural network
- knowledge representation
- knowledge representation and reasoning
- design space
- optimal design
- computer aided
- computational intelligence
- decision making
- genetic algorithm
- data mining