@Article{IPB-512, author = {Ntie-Kang, F. and Telukunta, K. K. and Fobofou, S. A. T. and Chukwudi Osamor, V. and Egieyeh, S. A. and Valli, M. and Djoumbou-Feunang, Y. and Sorokina, M. and Stork, C. and Mathai, N. and Zierep, P. and Chávez-Hernández, A. L. and Duran-Frigola, M. and Babiaka, S. B. and Tematio Fouedjou, R. and Eni, D. B. and Akame, S. and Arreyetta-Bawak, A. B. and Ebob, O. T. and Metuge, J. A. and Bekono, B. D. and Isa, M. A. and Onuku, R. and Shadrack, D. M. and Musyoka, T. M. and Patil, V. M. and van der Hooft, J. J. J. and da Silva Bolzani, V. and Medina-Franco, J. L. and Kirchmair, J. and Weber, T. and Tastan Bishop, ?. and Medema, M. H. and Wessjohann, L. A. and Ludwig-Müller, J.}, title = {{Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop}}, year = {2021}, pages = {64}, journal = {J. Cheminform.}, doi = {10.1186/s13321-021-00546-8}, url = {https://doi.org/10.1186/s13321‑021‑00546‑8}, volume = {13}, abstract = {AbstractWe report the major conclusions of the online open-access workshop “Computational Applications in Secondary Metabolite Discovery (CAiSMD)” that took place from 08 to 10 March 2021. Invited speakers from academia and industry and about 200 registered participants from five continents (Africa, Asia, Europe, South America, and North America) took part in the workshop. The workshop highlighted the potential applications of computational methodologies in the search for secondary metabolites (SMs) or natural products (NPs) as potential drugs and drug leads. During 3 days, the participants of this online workshop received an overview of modern computer-based approaches for exploring NP discovery in the “omics” age. The invited experts gave keynote lectures, trained participants in hands-on sessions, and held round table discussions. This was followed by oral presentations with much interaction between the speakers and the audience. Selected applicants (early-career scientists) were offered the opportunity to give oral presentations (15 min) and present posters in the form of flash presentations (5 min) upon submission of an abstract. The final program available on the workshop website (https://caismd.indiayouth.info/) comprised of 4 keynote lectures (KLs), 12 oral presentations (OPs), 2 round table discussions (RTDs), and 5 hands-on sessions (HSs). This meeting report also references internet resources for computational biology in the area of secondary metabolites that are of use outside of the workshop areas and will constitute a long-term valuable source for the community. The workshop concluded with an online survey form to be completed by speakers and participants for the goal of improving any subsequent editions.} }