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Table 1 Important web links shared during the CAiSMD workshop

From: Computational Applications in Secondary Metabolite Discovery (CAiSMD): an online workshop

Speaker (lecture) Group website (web link to tools presented) References
Ludger A. Wessjohann (KL01) Research group: http://www.ipb-halle.de/en/research/bioorganic-chemistry/  
Email: wessjohann@ipb-halle.de Tools: Databases and Tools, e.g. for computational mass spectrometry (https://www.ipb-halle.de/en/infrastructure/databases-and-tools/?MP=6-1058) [48,49,50]
Marnix Medema (KL02) Research group: http://marnixmedema.nl/  
Email: marnix.medema@wur.nl Tools: the antiSMASH software (https://antismash.secondarymetabolites.org); the antiSMASH database (https://antismash-db.secondarymetabolites.org/); Paired Omics Data Platform (https://pairedomicsdata.bioinformatics.nl); the plantiSMASH software (http://plantismash.secondarymetabolites.org/) [13,14,15, 51, 52]
Tilmann Weber (KL03) Research group: https://www.biosustain.dtu.dk/  
Email: tiwe@biosustain.dtu.dk Tools: the antiSMASH software (https://antismash.secondarymetabolites.org); the antiSMASH database (https://antismash-db.secondarymetabolites.org/); CRISPy (https://crispy.secondarymetabolites.org); the secondary metabolite bioinformatics portal (http://www.secondarymetabolites.org/) [14, 15, 52, 53]
ÖzlemTastan Bishop (KL04) Research group: https://rubi.ru.ac.za/  
Email: o.tastanbishop@ru.ac.za Tools: SANCDB compound database (https://sancdb.rubi.ru.ac.za/) [35, 54]
Justin J. J. van der Hooft (HS01) Research group: https://www.wur.nl/en/Persons/Justin-dr.-JJJ-Justin-van-der-Hooft.htm  
Email: justin.vanderhooft@wur.nl Tools: GNPS (https://gnps.ucsd.edu/ProteoSAFe/static/gnps-splash.jsp); MS2LDA (http://www.ms2lda.org); MAGMa (https://www.emetabolomics.org/); Paired Omics Data Platform (https://pairedomicsdata.bioinformatics.nl) [34, 51, 52, 55, 56]
Daniel M Shadrack (HS02) Research group:  
Email: dmssjut@gmail.com Tools: none  
Thommas Musyoka (HS02) Research group: same as KL04  
Email: mutemibiochemistry@gmail.com Tools: same as KL04  
Fidele Ntie-Kang (HS02) Research group: https://ntiekfidele.jimdofree.com/  
Email: fidele.ntie-kang@ubuea.cm Tools: ANPDB compound database (http://african-compounds.org/anpdb/) [36, 37]
Yannick Djoumbou-Feunang (HS03) Research group:  
Email: yannick.djoumboufeunang@corteva.com Tools: BioTransformer (http://biotransformer.ca/) [26]
Conrad Stork (HS04) Research group: https://www.zbh.uni-hamburg.de/personen/acm/cstork.html  
Email: stork@zbh.uni-hamburg.de Tools: NERDD web server (https://nerdd.univie.ac.at/); FAME3 (https://nerdd.univie.ac.at/fame3/); GLORY (https://nerdd.univie.ac.at/glory/); GLORYx (https://nerdd.univie.ac.at/gloryx/); Hit Dexter 2.0 (https://nerdd.univie.ac.at/hitdexter/); NP-Scout (https://nerdd.univie.ac.at/npscout/); Skin Doctor CP (https://nerdd.univie.ac.at/skinDoctorII/) [17,18,19,20,21,22,23]
Neann Mathai (HS04) Research group: https://www.uib.no/en/persons/Neann.Sarah.Mathai  
Email: neann.mathai@uib.no Tools: Same as above  
Maria Sorokina (HS05) Research group: https://cheminf.uni-jena.de/members/maria-sorokina/  
Email: maria.sorokina@uni-jena.de Tools: CDK (https://cdk.github.io/); COCONUT compound database (https://coconut.naturalproducts.net); NP-likeness score web application (https://naples.naturalproducts.net/); Sugar Removal Utility (https://sugar.naturalproducts.net/) [38,39,40,41,42,43]
Kiran K. Telukunta (OP01) Research group:  
Email: kiran.telukunta@indiayouth.info Tools: galaxy tutorials (https://galaxyproject.org/learn/) [57]
Paul F. Zierep (OP02) Research group: http://www.pharmbioinf.uni-freiburg.de/main/members/ziereppaul/  
Email: paul.zierep@gmail.com Tools: sempi 2.0 web server (http://sempi.pharmazie.uni-freiburg.de/); StreptomeDB compound database (http://thymin.pharmazie.uni-freiburg.de/streptomedb/); the ANPDB compound database (http://african-compounds.org/anpdb/) [22, 36, 37, 58]
Victor C. Osamor (OP03) Research group: https://covenantuniversity.edu.ng/Profiles/Osamor-Victor-Chukwudi#.YGYag1UzbIU  
Email: victor.osamor@covenantuniversity.edu.ng; vcosamor@gmail.com Tools: OsamorSoft (not available) [23]
Marilia Valli (OP04) Research group: https://nubbe.iq.unesp.br/portal/index.html  
Email: mariliava@gmail.com Tools: NuBBE database (https://nubbe.iq.unesp.br/portal/nubbe-search.html) [59, 60]
Vanderlan da Silva Bolzani (OP04) Research group: same as above  
Email: vanderlan.bolzani@unesp.br Tools: same as above  
Samuel Egieyeh (OP05) Research group:  
Email: segieyeh@uwc.ac.za Tools: none  
Miquel Duran-Frigola (OP06) Research group: https://ersilia.io/  
Email: miquel@ersilia.io Tools: Chemical Checker (https://pypi.org/project/chemicalchecker/) [61]
Yannick Djoumbou-Feunang (OP07) Research group: same as HS03  
Email: yannick.djoumboufeunang@corteva.com Tools: same as HS03  
Ana L. Chávez-Hernández (OP08) Research group: https://www.difacquim.com/  
Email: anachavez3026@gmail.com Tools: Epigenetic Target Profiler web server (http://www.epigenetictargetprofiler.com); BIOFACQUIM natural products database and other tools, e.g. Platform for Unified Molecular Analysis (PUMA), Activity Landscape Plotter, etc. (https://www.difacquim.com/d-tools/) [62, 63]
José L. Medina-Franco (OP08) Research group: same as above  
Email: jose.medina.franco@gmail.com Tools: same as above  
Johannes Kirchmair (OP09) Research group: https://comp3d.univie.ac.at/the-comp3d-team/johannes-kirchmair/  
Email: johannes.kirchmair@univie.ac.at Tools: same as HS04  
Maria Sorokina (OP10) Research group: same as HS05  
Email: maria.sorokina@uni-jena.de Tools: same as HS05  
Vaishali M. Patil (OP11) Research group:  
Email: vaishuwise@gmail.com Tools: none  
Romuald Tematio Fouedjou (OP12) Research group:  
Email: tematioromy@yahoo.fr Tools: none