DD Martinelli - Computers in Biology and Medicine, 2022 - Elsevier
Recent research on artificial intelligence indicates that machine learning algorithms can auto-generate novel drug-like molecules. Generative models have revolutionized de novo …
M Grigalunas, S Brakmann… - Journal of the American …, 2022 - ACS Publications
Natural products are the result of Nature's exploration of biologically relevant chemical space through evolution and an invaluable source of bioactive small molecules for chemical …
Compilation, curation, digitization, and exploration of the phytochemical space of Indian medicinal plants can expedite ongoing efforts toward natural product and traditional …
Y Chen, C Rosenkranz, S Hirte, J Kirchmair - Natural Product Reports, 2022 - pubs.rsc.org
Covering: up to 2021 The structural core of most small-molecule drugs is formed by a ring system, often derived from natural products. However, despite the importance of natural …
Technological advances and practical applications of the chemical space concept in drug discovery, natural product research, and other research areas have attracted the scientific …
M Grigalunas, A Burhop, S Zinken, A Pahl… - Nature …, 2021 - nature.com
Natural product structure and fragment-based compound development inspire pseudo- natural product design through different combinations of a given natural product fragment …
Informatics is growing across disciplines, impacting several areas of chemistry, biology, and biomedical sciences. Besides the well-established bioinformatics discipline, other …
Natural products are continually explored in the development of new bioactive compounds with industrial applications, attracting the attention of scientific research efforts due to their …
Natural products (NPs) or their derivatives represent a large proportion of drugs that successfully progress through clinical trials to approval. This study explores the presence of …