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new: 'MolScore: a scoring, evaluation and benchmarking framework for generative models in de novo drug design' jcheminf.biomedcentral.com/articles/10.11…

new: 'Consensus holistic virtual screening for drug discovery: a novel machine learning model approach' jcheminf.biomedcentral.com/articles/10.11…

new: 'TransExION: a transformer based explainable similarity metric for comparing IONS in tandem mass spectrometry' jcheminf.biomedcentral.com/articles/10.11…

new: 'Solvent flashcards: a visualisation tool for sustainable chemistry' jcheminf.biomedcentral.com/articles/10.11…

new: 'Development of scoring-assisted generative exploration (SAGE) and its application to dual inhibitor design for acetylcholinesterase and monoamine oxidase B' jcheminf.biomedcentral.com/articles/10.11…

new: 'CineMol: a programmatically accessible direct-to-SVG 3D small molecule drawer' jcheminf.biomedcentral.com/articles/10.11…

new: 'AiZynthFinder 4.0: developments based on learnings from 3 years of industrial application' jcheminf.biomedcentral.com/articles/10.11…

new: 'MolPROP: Molecular Property prediction with multimodal language and graph fusion' jcheminf.biomedcentral.com/articles/10.11…

new: 'Generative design of compounds with desired potency from target protein sequences using a multimodal biochemical language model' jcheminf.biomedcentral.com/articles/10.11…

New: 'InChI isotopologue and isotopomer specifications' jcheminf.biomedcentral.com/articles/10.11…

new: 'One chiral fingerprint to find them all' jcheminf.biomedcentral.com/articles/10.11…

new: 'Distance plus attention for binding affinity prediction' jcheminf.biomedcentral.com/articles/10.11…

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new: 'From papers to RDF-based integration of physicochemical data and adverse outcome pathways for nanomaterials' jcheminf.biomedcentral.com/articles/10.11…

new: 'QuanDB: a quantum chemical property database towards enhancing 3D molecular representation learning' jcheminf.biomedcentral.com/articles/10.11…

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new: 'Learning symmetry-aware atom mapping in chemical reactions through deep graph matching' jcheminf.biomedcentral.com/articles/10.11…

new: 'Classification of substances by health hazard using deep neural networks and molecular electron densities' jcheminf.biomedcentral.com/articles/10.11…