Topic: qsar-models Goto Github
Some thing interesting about qsar-models
Some thing interesting about qsar-models
qsar-models,Research project predicting monomer pair reactivity ratios with QSAR models based on the U-V scheme and quantum chemical descriptors.
User: alescoulie
qsar-models,Physicochemical properties, indices and descriptors for amino-acid sequences.
User: althonos
qsar-models,A one stop destination of open source tools in Computer Aided Drug Design (CADD)
User: cpayal
Home Page: https://cpayal.github.io/caddtools/
qsar-models,Training data for "Prediction of clinically relevant drug-induced liver injury from structure using machine learning" (Hammann et al., J Appl Toxicol . 2019 Mar;39(3):412-419)
User: cptbern
qsar-models,Estimate maximum performance bounds based on experimental errors for ML datasets
User: d-cru
Home Page: https://noiseestimator.bioch.ox.ac.uk
qsar-models,MCDCalc: Calculation of Markov Singular Values Molecular Descriptors Online Tool
User: glezdiazh
Home Page: https://cptmltool.rnasa-imedir.com/CPTMLTools-Web/mmd
qsar-models,C. Tong List of Selected Publications & Abstracts
User: hydrodynamicstability
qsar-models,Exploring QSAR: From Data Collection to Structure-Activity Relationship Analysis
User: kiranfranklin999
qsar-models,Source code for the paper Cardoso-Silva, J., Papageorgiou, L. G. & Tsoka, S. (2019) Network-based piecewise linear regression for QSAR modelling. http://link.springer.com/10.1007/s10822-019-00228-6
Organization: kisysbio
qsar-models,Developing a regression-based QSAR (quantitative structure-activity relationships) model to identify compounds that have 3-chymotrypsin-like protease (3CLpro) inhibitory activity.
User: kunal9804
qsar-models,Exploring QSAR Models for Activity-Cliff Prediction
User: markusferdinanddablander
Home Page: https://jcheminf.biomedcentral.com/articles/10.1186/s13321-023-00708-w
qsar-models,Code for paper
Organization: molecularai
qsar-models,QSARtuna: QSAR model building with the optuna framework
Organization: molecularai
qsar-models,A modular inverse QSAR pipeline
User: nikhilmukraj
qsar-models,This workflow includes Quantitative Structure-Activity Relationship (QSAR) models to predict the hERG-related cardiotoxicity of chemicals.
User: pdelre93
qsar-models,Open Source, machine learning QSAR model with public data or your local data, The model utilises molecular descriptors as the independent variable, bioactivity as the dependent variable, random forest as a mathematical model.
User: quantaosun
qsar-models,Quantitative structure activity relationship models (QSAR models) using 6 molecular descriptors of 908 chemicals to predict quantitative acute aquatic toxicity (LC50 value) towards the fish Pimephales promelas (fathead minnow).
User: shubhahegde2002
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