TY - JOUR
T1 - Computational Applications in Secondary Metabolite Discovery (CAiSMD)
T2 - an online workshop
AU - Ntie-Kang, Fidele
AU - Telukunta, Kiran K.
AU - Fobofou, Serge A.T.
AU - Chukwudi Osamor, Victor
AU - Egieyeh, Samuel A.
AU - Valli, Marilia
AU - Djoumbou-Feunang, Yannick
AU - Sorokina, Maria
AU - Stork, Conrad
AU - Mathai, Neann
AU - Zierep, Paul
AU - Chávez-Hernández, Ana L.
AU - Duran-Frigola, Miquel
AU - Babiaka, Smith B.
AU - Tematio Fouedjou, Romuald
AU - Eni, Donatus B.
AU - Akame, Simeon
AU - Arreyetta-Bawak, Augustine B.
AU - Ebob, Oyere T.
AU - Metuge, Jonathan A.
AU - Bekono, Boris D.
AU - Isa, Mustafa A.
AU - Onuku, Raphael
AU - Shadrack, Daniel M.
AU - Musyoka, Thommas M.
AU - Patil, Vaishali M.
AU - van der Hooft, Justin J.J.
AU - da Silva Bolzani, Vanderlan
AU - Medina-Franco, José L.
AU - Kirchmair, Johannes
AU - Weber, Tilmann
AU - Tastan Bishop, Özlem
AU - Medema, Marnix H.
AU - Wessjohann, Ludger A.
AU - Ludwig-Müller, Jutta
PY - 2021/12
Y1 - 2021/12
N2 - We 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.
AB - We 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.
KW - Bioinformatics
KW - Chemoinformatics
KW - Metabolites
KW - Online workshop
KW - Predictions
KW - Web tools
UR - https://doi.org/10.6084/m9.figshare.c.5605784
U2 - 10.1186/s13321-021-00546-8
DO - 10.1186/s13321-021-00546-8
M3 - Article
AN - SCOPUS:85114625773
SN - 1758-2946
VL - 13
JO - Journal of Cheminformatics
JF - Journal of Cheminformatics
IS - 1
M1 - 64
ER -