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Neann Mathai
Neann Mathai
Exscientia
Bestätigte E-Mail-Adresse bei exscientia.co.uk
Titel
Zitiert von
Zitiert von
Jahr
Validation strategies for target prediction methods
N Mathai, Y Chen, J Kirchmair
Briefings in bioinformatics 21 (3), 791-802, 2020
632020
Similarity-based methods and machine learning approaches for target prediction in early drug discovery: performance and scope
N Mathai, J Kirchmair
International Journal of Molecular Sciences 21 (10), 3585, 2020
252020
Scope of 3D shape-based approaches in predicting the macromolecular targets of structurally complex small molecules including natural products and macrocyclic ligands
Y Chen, N Mathai, J Kirchmair
Journal of Chemical Information and Modeling 60 (6), 2858-2875, 2020
202020
Cryo-EM structure of pleconaril-resistant rhinovirus-B5 complexed to the antiviral OBR-5-340 reveals unexpected binding site
J Wald, M Pasin, M Richter, C Walther, N Mathai, J Kirchmair, VA Makarov, ...
Proceedings of the National Academy of Sciences 116 (38), 19109-19115, 2019
192019
Computational prediction of frequent hitters in target-based and cell-based assays
C Stork, N Mathai, J Kirchmair
Artificial Intelligence in the Life Sciences 1, 100007, 2021
82021
Predicting the skin sensitization potential of small molecules with machine learning models trained on biologically meaningful descriptors
A Wilm, M Garcia de Lomana, C Stork, N Mathai, S Hirte, U Norinder, ...
Pharmaceuticals 14 (8), 790, 2021
62021
Computational applications in secondary metabolite discovery (CAiSMD): an online workshop
F Ntie-Kang, KK Telukunta, SAT Fobofou, V Chukwudi Osamor, ...
Journal of Cheminformatics 13 (1), 64, 2021
42021
Toxicity prediction using target, interactome, and pathway profiles as descriptors
B Füzi, N Mathai, J Kirchmair, GF Ecker
Toxicology Letters 381, 20-26, 2023
32023
BonMOLière: Small-Sized Libraries of Readily Purchasable Compounds, Optimized to Produce Genuine Hits in Biological Screens across the Protein Space
N Mathai, C Stork, J Kirchmair
International Journal of Molecular Sciences 22 (15), 7773, 2021
12021
Development, validation and application of in-silico methods to predict the macromolecular targets of small organic compounds
NS Mathai
The University of Bergen, 2021
2021
Performance and scope of similarity-based and machine learning approaches for predicting the macromolecular targets of small molecules
N Mathai, J Kirchmair
American Chemical Society SciMeetings 1 (2), 2020
2020
Molecular modelling of the Streptococcus pneumoniae serogroup 6 capsular polysaccharide antigens
NS Mathai
2013
Optimizing multivalent conjugate vaccine composition: A systematic approach to conformational analysis of carbohydrate antigens
N Mathai, N Ravenscroft, M Kuttel
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 244, 2012
2012
Artificial Intelligence in the Life Sciences
C Stork, N Mathai, J Kirchmair
CONFORMATIONAL STUDIES OF SEROGROUP 6 PNEUMOCOCCAL ANTIGENS.
NS Mathai, N Ravenscroft, M Kuttel
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