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Tweets from Editors-in-Chiefs Rajarshi Guha & Barbara Zdrazil & Publishing Editor Maggie Zhang.

Joined August 2016
Thank you for being part of the Journal of Cheminformatics community on X. We’ll be closing this account on 13th February and continuing updates on LinkedIn. Follow us there to stay connected: linkedin.com/company/1104348…
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"Evaluating ligand docking methods for drugging protein–protein interfaces: insights from AlphaFold2 and molecular dynamics refinement" jcheminf.biomedcentral.com/a…
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"Contrastive explanations for machine learning predictions in chemistry" jcheminf.biomedcentral.com/a…
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"Cheminformatics Microservice V3: a web portal for chemical structure manipulation and analysis" jcheminf.biomedcentral.com/a…
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"A comprehensive landscape of AI applications in broad-spectrum drug interaction prediction: a systematic review" jcheminf.biomedcentral.com/a…
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"MetaboGNN: predicting liver metabolic stability with graph neural networks and cross-species data" jcheminf.biomedcentral.com/a…
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"The first South Korean data challenge for drug discovery using human and mouse liver microsomal stability data" jcheminf.biomedcentral.com/a…
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"Box embeddings for extending ontologies: a data-driven and interpretable approach" jcheminf.biomedcentral.com/a…
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"Evaluation of chirality descriptors derived from SMILES heteroencoders" jcheminf.biomedcentral.com/a…
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"Biosynfoni: a biosynthesis-informed and interpretable lightweight molecular fingerprint" jcheminf.biomedcentral.com/a…
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"Mixture of experts for multitask learning in cardiotoxicity assessment" jcheminf.biomedcentral.com/a…
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"Alphappimi: a comprehensive deep learning framework for predicting PPI-modulator interactions" jcheminf.biomedcentral.com/a…
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"FusionCLM: enhanced molecular property prediction via knowledge fusion of chemical language models" jcheminf.biomedcentral.com/a…
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"AI-powered prediction of critical properties and boiling points: a hybrid ensemble learning and QSPR approach" jcheminf.biomedcentral.com/a…
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"Comment on 'Advancing material property prediction: using physics-informed machine learning models for viscosity'" jcheminf.biomedcentral.com/a…
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"Retrosynthetic crosstalk between single-step reaction and multi-step planning" jcheminf.biomedcentral.com/a…
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"Systematic benchmarking of 13 AI methods for predicting cyclic peptide membrane permeability" jcheminf.biomedcentral.com/a…
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"AdapTor: Adaptive Topological Regression for quantitative structure–activity relationship modeling" jcheminf.biomedcentral.com/a…
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"xBitterT5: an explainable transformer-based framework with multimodal inputs for identifying bitter-taste peptides" jcheminf.biomedcentral.com/a…
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"ReactionT5: a pre-trained transformer model for accurate chemical reaction prediction with limited data" jcheminf.biomedcentral.com/a…
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