[HTML][HTML] Assessment of potassium ion channel during electric signalling in biofilm formation of Acinetobacter baumannii for finding antibiofilm molecule
M Tiwari, S Panwar, V Tiwari - Heliyon, 2023 - cell.com
… The interaction of leads with metabolic pathway was modelled using KEGG and Reactome
database, based on self-normalizing neural networks for the identification of pathway. The …
database, based on self-normalizing neural networks for the identification of pathway. The …
Pharmacophore screening, denovo designing, retrosynthetic analysis, and combinatorial synthesis of a novel lead VTRA1. 1 against RecA protein of Acinetobacter …
V Tiwari - Chemical Biology & Drug Design, 2022 - Wiley Online Library
… -pathway interactions using PathwayMap which is based on self-normalizing neural networks
for pathway … model was used to predict molecule pathway association using KEGG and …
for pathway … model was used to predict molecule pathway association using KEGG and …
Model organism life extending therapeutics modulate diverse nodes in the drug-gene-microbe tripartite human longevity interactome
R Salekeen, MS Lustgarten, U Khan… - Journal of Biomolecular …, 2024 - Taylor & Francis
… network perturbations by drug molecules, deep self-normalizing neural-network based
metabolic pathway interaction probability predictions were simulated using the PathwayMap tool (…
metabolic pathway interaction probability predictions were simulated using the PathwayMap tool (…
Computational Investigation of Nanoemulsion-released Tocopherol for Treating Cardiovascular Diseases: Insights from Molecular Dynamic Simulation and Deep …
S Yakoubi - Journal of Molecular Structure, 2024 - Elsevier
… involves the deployment of a deep convolutional neural network (CNN) using Python 3.12.2, …
cell- pathways prediction A molecular pathway association analysis using PathwayMap has …
cell- pathways prediction A molecular pathway association analysis using PathwayMap has …
[PDF][PDF] Role of Artificial Neural Networks in Pharmaceutical Sciences.
TB Teja, M Sekar, T Pallavi, S Mettu… - Journal of Young …, 2022 - jyoungpharm.org
… disease heterogeneity, discovering dysregulated molecular pathways and therapeutic targets,
… SMILES enumeration as data augmentation for neural network modeling of molecules. …
… SMILES enumeration as data augmentation for neural network modeling of molecules. …
Coloring molecules with explainable artificial intelligence for preclinical relevance assessment
J Jiménez-Luna, M Skalic, N Weskamp… - Journal of Chemical …, 2021 - ACS Publications
… While the main goal of the study is not to evaluate the predictive performance of graph
neural networks compared to other machine-learning models, to assess whether the proposed …
neural networks compared to other machine-learning models, to assess whether the proposed …
[HTML][HTML] Joint virtual special issue on computational toxicology
… However, by using a novel molecular graph encoding and convolutional neural network …
deep self-normalizing neural network model for the prediction of molecular pathway association …
deep self-normalizing neural network model for the prediction of molecular pathway association …
Artificial intelligence based virtual screening study for competitive and allosteric inhibitors of the SARS-CoV-2 main protease
… to associate with various cellular pathways, they were submitted to a pathway map, a
molecular pathway predictor based on self-normalizing neural networks and ECFP4 fingerprints, …
molecular pathway predictor based on self-normalizing neural networks and ECFP4 fingerprints, …
Therapeutic target database update 2022: facilitating drug discovery with enriched comparative data of targeted agents
… , the molecular structure of the hit against a target (first molecule found to bind … molecules,
particularly the structural derivatives of a hit, largely follow certain structure-activity relationship …
particularly the structural derivatives of a hit, largely follow certain structure-activity relationship …
Omics data analysis reveals common molecular basis of small cell lung cancer and COVID-19
… Overview of the major molecular pathways associated with COVID-19 pathogenesis and …
factors are associated with SCLC development and activation of signaling pathways such as …
factors are associated with SCLC development and activation of signaling pathways such as …