Synonyms were used for: Chemoinformatik
Search without synonyms: keywords:("Chemoinformatik")
Used synonyms:
- chemieinformatik
- chemiinformatics
- cheminformatics
- cheminformatik
- chemoinformatics
- computational chemistry
- computerchemie
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DeepSMILES: An Adaptation of SMILES for Use in Machine-Learning of Chemical Structures
Free accessChemRxiv | 2018|Keywords: cheminformatics -
Tautomer Database: A Comprehensive Resource for Tautomerism Analyses
Free accessChemRxiv | 2019|Keywords: Chemoinformatics - Computational Chemistry, Chemoinformatics Approach -
Toward a Comprehensive Treatment of Tautomerism in Chemoinformatics Including in InChI V2
Free accessChemRxiv | 2019|Keywords: Chemoinformatics - Computational Chemistry, Chemoinformatics Approach -
Document Embedding Centroids: New and Versatile Semantic Descriptors for Compounds
Free accessChemRxiv | 2020|Keywords: Chemoinformatics -
Efficient Multi-Objective Molecular Optimization in a Continuous Latent Space
Free accessChemRxiv | 2019|Keywords: Chemoinformatics -
Tracing Molecular Properties Throughout Evolution: A Chemoinformatic Approach.
Free accessChemRxiv | 2020|Keywords: Chemoinformatics - Computational Chemistry, Chemoinformatics -
RDChiral: An RDKit Wrapper for Handling Stereochemistry in Retrosynthetic Template Extraction and Application
Free accessChemRxiv | 2019|Keywords: cheminformatics -
The Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning
Free accessChemRxiv | 2018|Keywords: cheminformatics tool -
Using a Genetic Algorithm to Find Molecules with Good Docking Scores
Free accessChemRxiv | 2021|Keywords: Chemoinformatics - Computational Chemistry -
Penalized Variational Autoencoder for Molecular Design
Free accessChemRxiv | 2019|Keywords: cheminformatics -
Systemic in Silico Screening in Drug Discovery for Coronavirus Disease (COVID-19) with an Online Interactive Web Server
Free accessChemRxiv | 2020|Keywords: Chemoinformatics -
SDFEater: A Parser for Chemoinformatics Formats
Free accessChemRxiv | 2018|Keywords: chemoinformatics tools, cheminformatics tool, chemoinformatics, cheminformatics -
Human-Readable SMILES: Translating Cheminformatics to Chemistry
Free accessChemRxiv | 2021|Keywords: Chemoinformatics - Computational Chemistry -
GenUI: Interactive and Extensible Open Source Software Platform for De Novo Molecular Generation
Free accessChemRxiv | 2021|Keywords: Chemoinformatics - Computational Chemistry, Chemoinformatics -
Reducing hERG Toxicity Using hERG Classification Model and Fragment-growing Network
Free accessChemRxiv | 2020|Keywords: Chemoinformatics - Computational Chemistry -
RegioSQM20: Improved Prediction of the Regioselectivity of Electrophilic Aromatic Substitutions
Free accessChemRxiv | 2020|Keywords: Chemoinformatics - Computational Chemistry -
Tautomeric Conflicts in Forty Small-Molecule Databases
Free accessChemRxiv | 2021|Keywords: Chemoinformatics - Computational Chemistry -
Transformer: Linking Atom Mapping and Neural Machine Translation
Free accessChemRxiv | 2020|Keywords: Chemoinformatics - Computational Chemistry, Chemoinformatics -
Scope of 3D Shape-Based Approaches in Predicting the Macromolecular Targets of Structurally Complex Small Molecules Including Natural Products and Macrocyclic Ligands
Free accessChemRxiv | 2020|Keywords: Chemoinformatics - Computational Chemistry, Chemoinformatics -
Machine Learning for Acute Oral System Toxicity Regression and Classification
Free accessChemRxiv | 2019|Keywords: Chemoinformatics - Computational Chemistry
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