Applications of artificial intelligence to drug design and discovery in the big data era: a comprehensive review.
Sign Up to like & getrecommendations! Published in 2021 at "Molecular diversity"
DOI: 10.1007/s11030-021-10237-z
Abstract: Artificial intelligence (AI) renders cutting-edge applications in diverse sectors of society. Due to substantial progress in high-performance computing, the development of superior algorithms, and the accumulation of huge biological and chemical data, computer-assisted drug design… read more here.
Keywords: big data; design discovery; drug design; drug ... See more keywords
Machine Learning-Aided Inverse Design and Discovery of Novel Polymeric Materials for Membrane Separation
Sign Up to like & getrecommendations! Published in 2024 at "Environmental Science & Technology"
DOI: 10.1021/acs.est.4c08298
Abstract: Polymeric membranes have been widely used for liquid and gas separation in various industrial applications over the past few decades because of their exceptional versatility and high tunability. Traditional trial-and-error methods for material synthesis are… read more here.
Keywords: machine learning; inverse design; design discovery; discovery ... See more keywords
Unraveling the Design and Discovery of c-Jun N-Terminal Kinase Inhibitors and Their Therapeutic Potential in Human Diseases.
Sign Up to like & getrecommendations! Published in 2022 at "Journal of medicinal chemistry"
DOI: 10.1021/acs.jmedchem.1c01947
Abstract: c-Jun N-terminal kinases (JNKs), members of the mitogen-activated protein kinase (MAPK) family, are encoded by three genes: jnk1, jnk2, and jnk3. JNKs are involved in the pathogenesis and development of many diseases, such as neurodegenerative… read more here.
Keywords: design discovery; kinase; jun terminal; unraveling design ... See more keywords
Techniques and Strategies in Drug Design and Discovery
Sign Up to like & getrecommendations! Published in 2024 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms25031364
Abstract: The process of drug discovery constitutes a highly intricate and formidable undertaking, encompassing the identification and advancement of novel therapeutic entities [...]. read more here.
Keywords: strategies drug; drug design; techniques strategies; drug ... See more keywords