cheminformatics

Documents about cheminformatics

• Machine Learning and Cheminformatics Methods for Retrosynthetic Planning#447684EliScholar
• Algorithmic Cheminformatics (Dagstuhl Seminar 14452)#622698Bielefeld Pub
• Predictive Modeling of Natural Medicinal Compounds for Alzheimer Disease Using Cheminformatics#120538arXiv CS
• CheMLFlow: An Open-Source Platform for Cheminformatics and Materials Informatics Applications#429372arXiv CS
• Chemistry in Times of Artificial Intelligence#686542OpenAlex
• Open Babel: An open chemical toolbox#6501OpenAlex
• Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddings#665288HAL (France)
• SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules#6414OpenAlex
• CDK12 Inhibitors in Myotonic Dystrophy Type I#614846Figshare
• Matbench Discovery - Model Predictions for Discovery#408485Figshare
• Supplementary data for: Amino Acids metabolism as drug target for anti-trypanosomatids drug discovery#406584RDA UNR Dataverse OAI Archive
• Matbench Discovery - Model Predictions for Phonons#294288Figshare
• Matbench Discovery - Model Predictions for Diatomics#1390290Figshare
• Matbench Discovery - Model Predictions for Geometry Optimization#408484Figshare
• Accelerating Large-Scale Cheminformatics Using a Byte-Offset Indexing Architecture for Terabyte-Scale Data Integration#1036626arXiv (All)
• AI-Ready Data for Anti-Cancer Drug Response Modeling#456750Figshare
• Do conhecimento à aplicação: triagem virtual e aplicação experimental de compostos fenólicos e de terpenos da família fabaceae para estratégias multialvo contra doenças tropicais negligenciadas e doenças virais emergentes#1225678Repositório Institucional da UFPB