Showing results (1131-1140 of 1,363) with videos related to
Sort By:
Pageof 137
Journal of Cheminformatics|April 30, 2021
Assessing the calibration in toxicological in vitro models with conformal predictionAndrea Morger, Fredrik Svensson, Staffan Arvidsson McShane, et al.Journal of Cheminformatics|May 1, 2015
Proteochemometric modelling coupled to in silico target prediction: an integrated approach for the simultaneous prediction of polypharmacology and binding affinity/potency of small moleculesShardul Paricharak, Isidro Cortés-Ciriano, Adriaan P IJzerman, et al.Journal of Cheminformatics|May 2, 2015
Improving protein-ligand binding site prediction accuracy by classification of inner pocket points using local featuresRadoslav Krivák, David HokszaJournal of Cheminformatics|August 15, 2021
Learning protein-ligand binding affinity with atomic environment vectorsRocco Meli, Andrew Anighoro, Mike J Bodkin, et al.Journal of Cheminformatics|September 9, 2021
2D SIFt: a matrix of ligand-receptor interactionsStefan Mordalski, Agnieszka Wojtuch, Igor Podolak, et al.Journal of Cheminformatics|September 9, 2021
PUResNet: prediction of protein-ligand binding sites using deep residual neural networkJeevan Kandel, Hilal Tayara, Kil To ChongJournal of Cheminformatics|September 21, 2021
A hybrid framework for improving uncertainty quantification in deep learning-based QSAR regression modelingDingyan Wang, Jie Yu, Lifan Chen, et al.Journal of Cheminformatics|November 11, 2022
Tuning gradient boosting for imbalanced bioassay modelling with custom loss functionsDavide Boldini, Lukas Friedrich, Daniel Kuhn, et al.Journal of Cheminformatics|June 10, 2022
DECIMER-hand-drawn molecule images datasetHenning Otto Brinkhaus, Achim Zielesny, Christoph Steinbeck, et al.Journal of Cheminformatics|December 12, 2022
ReMODE: a deep learning-based web server for target-specific drug designMingyang Wang, Jike Wang, Gaoqi Weng, et al.Pageof 137