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Journal of Cheminformatics|February 13, 2021
The kernel-weighted local polynomial regression (KwLPR) approach: an efficient, novel tool for development of QSAR/QSAAR toxicity extrapolation modelsAgnieszka Gajewicz-Skretna, Supratik Kar, Magdalena Piotrowska, et al.Journal of Cheminformatics|September 8, 2022
Review of techniques and models used in optical chemical structure recognition in images and scanned documentsFidan Musazade, Narmin Jamalova, Jamaladdin HasanovJournal of Cheminformatics|November 2, 2022
VGSC-DB: an online database of voltage-gated sodium channelsGaoang Wang, Jiahui Yu, Hongyan Du, et al.Journal of Cheminformatics|August 29, 2025
Alphappimi: a comprehensive deep learning framework for predicting PPI-modulator interactionsDayan Liu, Tao Song, Shuang Wang, et al.Journal of Cheminformatics|August 29, 2025
Mixture of experts for multitask learning in cardiotoxicity assessmentEdoardo Luca Viganò, Mateusz Iwan, Erika Colombo, et al.Journal of Cheminformatics|September 2, 2025
Box embeddings for extending ontologies: a data-driven and interpretable approachAdel Memariani, Martin Glauer, Simon Flügel, et al.Journal of Cheminformatics|June 18, 2015
Calculating an optimal box size for ligand docking and virtual screening against experimental and predicted binding pocketsWei P Feinstein, Michal BrylinskiJournal of Cheminformatics|June 24, 2015
Quantitative modeling of dose-response and drug combination based on pathway networkJiangyong Gu, Xinzhuang Zhang, Yimin Ma, et al.Journal of Cheminformatics|August 28, 2025
Systematic benchmarking of 13 AI methods for predicting cyclic peptide membrane permeabilityWei Liu, Jianguo Li, Chandra S Verma, et al.Journal of Cheminformatics|August 12, 2021
GraphDTI: A robust deep learning predictor of drug-target interactions from multiple heterogeneous dataGuannan Liu, Manali Singha, Limeng Pu, et al.Pageof 137