1. Atom‐to‐atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies. Issue 4 (2nd November 2021) Authors: Lin, Arkadii; Dyubankova, Natalia; Madzhidov, Timur I.; Nugmanov, Ramil I.; Verhoeven, Jonas; Gimadiev, Timur R.; Afonina, Valentina A.; Ibragimova, Zarina; Rakhimbekova, Assima; Sidorov, Pavel; Gedich, Andrei; Suleymanov, Rail; Mukhametgaleev, Ravil; Wegner, Joerg; Ceulemans, Hugo; Varnek, Alexa... Journal: Molecular informatics Issue: Volume 41:Issue 4(2022) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. BIGL: Biochemically Intuitive Generalized Loewe null model for prediction of the expected combined effect compatible with partial agonism and antagonism. Issue 1 (December 2017) Authors: Van der Borght, Koen; Tourny, Annelies; Bagdziunas, Rytis; Thas, Olivier; Nazarov, Maxim; Turner, Heather; Verbist, Bie; Ceulemans, Hugo Journal: Scientific reports Issue: Volume 7:Issue 1(2017) Page Start: 1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Fast semi-supervised discriminant analysis for binary classification of large data sets. (July 2019) Authors: Tavernier, Joris; Simm, Jaak; Meerbergen, Karl; Wegner, Joerg Kurt; Ceulemans, Hugo; Moreau, Yves Journal: Pattern recognition Issue: Volume 91(2019:Jul.) Page Start: 86 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. High‐Parameter Mass Cytometry Evaluation of Relapsed/Refractory Multiple Myeloma Patients Treated with Daratumumab Demonstrates Immune Modulation as a Novel Mechanism of Action. Issue 3 (11th December 2018) Authors: Adams, Homer C.; Stevenaert, Frederik; Krejcik, Jakub; Van der Borght, Koen; Smets, Tina; Bald, Jaime; Abraham, Yann; Ceulemans, Hugo; Chiu, Christopher; Vanhoof, Greet; Usmani, Saad Z.; Plesner, Torben; Lonial, Sagar; Nijhof, Inger; Lokhorst, Henk M.; Mutis, Tuna; van de Donk, Niels W.C.J.; Sass... Journal: Cytometry Issue: Volume 95:Issue 3(2019) Page Start: 279 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Large-scale comparison of machine learning methods for drug target prediction on ChEMBL. Issue 24 (6th June 2018) Authors: Mayr, Andreas; Klambauer, Günter; Unterthiner, Thomas; Steijaert, Marvin; Wegner, Jörg K.; Ceulemans, Hugo; Clevert, Djork-Arné; Hochreiter, Sepp Journal: Chemical science Issue: Volume 9:Issue 24(2018) Page Start: 5441 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Reaction Data Curation I: Chemical Structures and Transformations Standardization. Issue 12 (24th August 2021) Authors: Gimadiev, Timur R.; Lin, Arkadii; Afonina, Valentina A.; Batyrshin, Dinar; Nugmanov, Ramil I.; Akhmetshin, Tagir; Sidorov, Pavel; Duybankova, Natalia; Verhoeven, Jonas; Wegner, Joerg; Ceulemans, Hugo; Gedich, Andrey; Madzhidov, Timur I.; Varnek, Alexandre Journal: Molecular informatics Issue: Volume 40:Issue 12(2021) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Repurposing High-Throughput Image Assays Enables Biological Activity Prediction for Drug Discovery. Issue 5 (17th May 2018) Authors: Simm, Jaak; Klambauer, Günter; Arany, Adam; Steijaert, Marvin; Wegner, Jörg Kurt; Gustin, Emmanuel; Chupakhin, Vladimir; Chong, Yolanda T.; Vialard, Jorge; Buijnsters, Peter; Velter, Ingrid; Vapirev, Alexander; Singh, Shantanu; Carpenter, Anne E.; Wuyts, Roel; Hochreiter, Sepp; Moreau, Yves; Ceul... Journal: Cell chemical biology Issue: Volume 25:Issue 5(2018) Page Start: 611 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗