Learn to Perform QSAR Modeling on Compound Dataset. Part 2 - Final Part

Welcome to Bioinformatics Insights. This video is all about Quantitative Structure Activity Relationships. We learned in Part-1, how to generate or calculate descriptors for a compound dataset. Here, we are interested to employ that data and generate some models and test them. Also, here we will discuss how can you use these things in real essence of research in drug discovery.

#bioinformatics #bioinformaticstools #bioinformaticsforbeginners #druginteractions #science #QSAR #descriptors #rdkit #colab #chemical_space #topological_descriptors #3D_descriptors #QED #Lipinksi #pharmacy #pharmaceutics #pharmacist #pharmacology #pharmaceuticalanalysis #pharmacywala #CADD #drugdesigning #drugdevelopment #machinelearning #randomforest #gradientboosting #lassoregressor #ML #models #research #researchtools

[readyforresearch]

Thanks so much for your videos. If you see a sudden spike on viewership on older tutorials those are probably from my junior high school research students. We are grateful for your effort in sharing these tutorials. Please continue as much as you can and know that you are helping so many ❤

[sandeepsadanandan]

Good tutorial. Sir, Please do tutorial videos for pharmacophore modelling and its validation 🙏

[godswillanthony]

Thank you so much for these insightful teachings. I am expecting your teaching on Density Functional Theory calculations.

[aujara]

Thank you very much for this exciting lecture. Sir can you share a journal that was published related to this lecture

[nwosunzube]

This is insightful sir, my question is. Should I use any known compound for training and testing then upload my unknown library for prediction or I should use my unknown library for the training and testing and still upload it as unknown library. Why am asking is my unknown library do not have activity which is required for calculating QSAR descriptors. Again, must my unknown library calculated for descriptors or have descriptors like QED, LOGP etc before uploading them, if yes how will I get activity value. Please am sorry for asking much questions

[krishna-sw]

Hi sir, after getting predicted activities how to generate plots and graphs for predicted activities…..?