| The Chemistry Development Kit (CDK): An open-source Java library for chemo-and bioinformatics C Steinbeck, Y Han, S Kuhn, O Horlacher, E Luttmann, E Willighagen Journal of chemical information and computer sciences 43 (2), 493-500, 2003 | 1321 | 2003 |
| WikiPathways: a multifaceted pathway database bridging metabolomics to other omics research DN Slenter, M Kutmon, K Hanspers, A Riutta, J Windsor, N Nunes, ... Nucleic Acids Research 46 (D1), D661–D667, 2018 | 1057 | 2018 |
| WikiPathways: connecting communities M Martens, A Ammar, A Riutta, A Waagmeester, DN Slenter, K Hanspers, ... Nucleic Acids Research 49 (D1), D613–D621, 2021 | 853 | 2021 |
| Recent developments of the chemistry development kit (CDK)-an open-source java library for chemo-and bioinformatics C Steinbeck, C Hoppe, S Kuhn, M Floris, R Guha, EL Willighagen Current pharmaceutical design 12 (17), 2111-2120, 2006 | 592 | 2006 |
| The Chemistry Development Kit (CDK) v2.0: atom typing, depiction, molecular formulas, and substructure searching EL Willighagen, JW Mayfield, J Alvarsson, A Berg, L Carlsson, ... Journal of Cheminformatics 9 (1), 33, 2017 | 579 | 2017 |
| WikiPathways: capturing the full diversity of pathway knowledge M Kutmon, A Riutta, N Nunes, K Hanspers, EL Willighagen, A Bohler, ... Nucleic acids research 44 (D1), D488-D494, 2016 | 536 | 2016 |
| The Blue Obelisk - Interoperability in Chemical Informatics R Guha, MT Howard, GR Hutchison, MP Rust, H Rzepa, C Steinbeck, ... Journal of Chemical Information and Modeling 46, 991-998, 2006 | 501 | 2006 |
| FAIR principles: Interpretations and implementation considerations A Jacobsen, R de Miranda Azevedo, N Juty, D Batista, S Coles, R Cornet, ... Data Intelligence 2 (1-2), 10-29, 2020 | 500 | 2020 |
| Adverse outcome pathways: opportunities, limitations and open questions M Leist, A Ghallab, R Graepel, R Marchan, R Hassan, SH Bennekou, ... Archives of toxicology 91 (11), 3477-3505, 2017 | 410 | 2017 |
| Open PHACTS: Semantic interoperability for drug discovery AJ Williams, L Harland, P Groth, S Pettifer, C Chichester, EL Willighagen, ... Drug Discovery Today, 2012 | 404 | 2012 |
| WikiPathways 2024: next generation pathway database A Agrawal, H Balcı, K Hanspers, SL Coort, M Martens, DN Slenter, ... Nucleic Acids Research 52 (D1), D679-D689, 2024 | 381 | 2024 |
| Community assessment to advance computational prediction of cancer drug combinations in a pharmacogenomic screen MP Menden, D Wang, MJ Mason, B Szalai, KC Bulusu, Y Guan, T Yu, ... Nature communications 10 (1), 2674, 2019 | 381 | 2019 |
| The LOTUS initiative for open knowledge management in natural products research A Rutz, M Sorokina, J Galgonek, D Mietchen, E Willighagen, A Gaudry, ... eLife 11, e70780, 2022 | 376* | 2022 |
| Artificial intelligence for natural product drug discovery MW Mullowney, KR Duncan, SS Elsayed, N Garg, JJJ van der Hooft, ... Nature Reviews Drug Discovery 22 (11), 895-916, 2023 | 345 | 2023 |
| OSCAR4: a flexible architecture for chemical text-mining DM Jessop, SE Adams, EL Willighagen, L Hawizy, P Murray-Rust Journal of Cheminformatics 3, 41, 2011 | 301 | 2011 |
| Linked open drug data for pharmaceutical research and development M Samwald, A Jentzsch, C Bouton, CS Kallesøe, E Willighagen, ... Journal of Cheminformatics 3, 19, 2011 | 257 | 2011 |
| The Chemical Translation Service—a web-based tool to improve standardization of metabolomic reports G Wohlgemuth, PK Haldiya, E Willighagen, T Kind, O Fiehn Bioinformatics 26 (20), 2647-2648, 2010 | 181 | 2010 |
| Wikidata as a knowledge graph for the life sciences A Waagmeester, G Stupp, S Burgstaller-Muehlbacher, BM Good, M Griffith, ... eLife 9, e52614, 2020 | 174 | 2020 |
| Scholia and scientometrics with Wikidata FÅ Nielsen, D Mietchen, E Willighagen Lecture Notes in Computer Science 10577, 237-259, 2017 | 167 | 2017 |
| COVID-19 Disease Map, building a computational repository of SARS-CoV-2 virus-host interaction mechanisms M Ostaszewski, A Mazein, ME Gillespie, I Kuperstein, A Niarakis, ... Scientific Data 7 (1), 1-4, 2020 | 163 | 2020 |
Christoph SteinbeckFriedrich-Schiller-University JenaVerified email at uni-jena.de
