PinnedAbhik SealRetrieval-Augmented Generation for Clinical Trials: A Introductory Practical Guide (Part 1)During my collaboration for a US-based biosciences company with Lynx Analytics, I tackled a problem to one I faced during my time at AbbVie…Jun 1Jun 1
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…Aug 21, 2023Aug 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…Apr 10, 2023Apr 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…Mar 30, 20231Mar 30, 20231
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…Nov 20, 2022Nov 20, 2022
Abhik SealOpenAI Dynamic Function Calling for Real-Time Cheminformatics Molecular AnalysisJun 14Jun 14
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…Aug 11, 2023Aug 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…May 15, 2023May 15, 2023