PinnedAbhik SealUsing Graph Cliques to Compute combined 2D & 3D Molecule similarity.Many molecular hunters prefer ligand based similarity searching methods as a virtual screening tool , to identify those structures that…·7 min read·Aug 21, 2023----
PinnedAbhik SealUsing Chemical Language transformer model for Molecular Property prediction regression tasks and…Came across the ChemBERTa-77M-MTR at Hugging face looks like it's pre-trained on 77M molecules. ChemBERT is a large-scale pre-trained…·7 min read·Apr 10, 2023----
PinnedAbhik SealCharge Descriptors (features) for molecular property prediction.On this post i try to investigate about the charge descriptors fingerprints as one may call it . David Winkler 2009 published an article…·5 min read·Mar 30, 2023--1--1
PinnedAbhik SealHack for Compound Similarity Searching with Neo4J .As a cheminformatician we all know how much we care for similarity search because its required my several teams in pharmaceutical industry…3 min read·Nov 20, 2022----
Abhik SealExploring the Integrated Value of Influence (IVI)score in PPI Network Analysis·9 min read·Feb 2, 2024--1--1
Abhik SealUsing Chemical Language transformer model for Molecular Property prediction regression : Part 2In the previous blog we used a transformers library to predict continuous variables now this post is further extending the code to utilize…·5 min read·Aug 11, 2023----
Abhik SealDigging Deeper: Exploring Extended Common Neighbors in Link PredictionLink prediction is a prominent area of research in complex network analysis, with applications in various fields including network…·6 min read·May 15, 2023----
Abhik SealUnderstanding Network diffusion , GCN and GAT, how do they relate .Graph convolution , Graph Attention has been a trending topic lately and it’s likely that you’ve come across it in link prediction …7 min read·May 1, 2023----
Abhik SealTemporal Trends and Compound JourneysInspired by the moving targets publication and the app on @ https://rguha.shinyapps.io/MovingTargets/ i am sharing this post to visualize…4 min read·Apr 7, 2023----