Aouidate

ADMET-web-app-

The ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of your molecules are of vital importance. The ability to quickly and accurately predict these properties simply from the 2D structure of the molecule is extremely helpful in making decisions that can determine the success of your project. ADMET Predictor is state of the art ADMET property prediction software.

adnane.github.io

A Empty template blog

adnoune.github.io

Aouidate

Adnane Aouidate Portfolio

aouidate.github.io

Jekyll theme based on Freelancer Start Bootstrap theme

Applicability-Domain

The AD is a theoretical region in the chemical space surrounding both the model descriptors and modeled response. In the construction of a QSAR model, the AD of molecules plays a deciding role in estimating the uncertainty in the prediction of a particular compound based on how similar it is to the compounds used to build the model. Therefore, the prediction of a modeled response using QSAR is applicable only if the compound being predicted falls within the AD of the model, as it is impractical to predict an entire universe of chemicals using a single QSAR model. Again, AD can be described as the physicochemical, structural, or biological space information based on which the training set of the model is developed, and the model is applicable to make predictions for new compounds within the specific domain.

awosome-bioinformatics

A curated list of resources for learning bioinformatics.

Chemoinformatics-compiliation

In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them

Chemoinformatics-tutos

Compilation of chemoinformatics and machine learning techniques

rdkitapps

Here I will create some apps using rdkit and deploy them with streamlit

Aouidate/Chemoinformatics-tutos

Compilation of chemoinformatics and machine learning techniques

Aouidate/ADMET-web-app-

The ADMET (absorption, distribution, metabolism, excretion, and toxicity) properties of your molecules are of vital importance. The ability to quickly and accurately predict these properties simply from the 2D structure of the molecule is extremely helpful in making decisions that can determine the success of your project. ADMET Predictor is state of the art ADMET property prediction software.

Aouidate/Aouidate

Adnane Aouidate Portfolio

Aouidate/Chemoinformatics-compiliation

In the current repository, I will try to compile the sources of Cheminformatics that can be helpful for anyone that needs them

Aouidate/adnane.github.io

A Empty template blog

Aouidate/adnoune.github.io

Aouidate/aouidate.github.io

Jekyll theme based on Freelancer Start Bootstrap theme

Aouidate/Applicability-Domain

The AD is a theoretical region in the chemical space surrounding both the model descriptors and modeled response. In the construction of a QSAR model, the AD of molecules plays a deciding role in estimating the uncertainty in the prediction of a particular compound based on how similar it is to the compounds used to build the model. Therefore, the prediction of a modeled response using QSAR is applicable only if the compound being predicted falls within the AD of the model, as it is impractical to predict an entire universe of chemicals using a single QSAR model. Again, AD can be described as the physicochemical, structural, or biological space information based on which the training set of the model is developed, and the model is applicable to make predictions for new compounds within the specific domain.

Aouidate/awosome-bioinformatics

A curated list of resources for learning bioinformatics.

Aouidate/beta-lactamase

Aouidate/Knime-tutos

Aouidate/rdkitapps

Here I will create some apps using rdkit and deploy them with streamlit

Aouidate/chemdome

Developing a web app for applicability domaine

Aouidate/code

Compilation of R and Python programming codes on the Data Professor YouTube channel.

Aouidate/deep-learning

Aouidate/docker-compose-razi

docker-compose + JupyterNotebook + RDKit database cartridge + PostgreSQL

Aouidate/iPyMol

Control PyMol sessions via iPython

Aouidate/rfscorevs

RF-Score-VS - Random forest based protein-ligand scoring function for Virtual Screening