Table 4.

AI tools used in drug discovery

Tools	Details	References
Organic	A molecular design tool that aids in the synthesis of molecules with specific properties.	(Brown 2015)
DeepNeuralNet QSAR	A python-based system that uses computational methods to aid in the detection of compound molecular activity.	(Chan 2019)
Potential Net	Use to predict binding affinity of ligands	( Pereira 2016)
DeltaVina	Rescoring drug–ligand binding affinity with a scoring function	(Wang and Zhang 2017)
Neural graph fingerprint	It aids in the prediction of novel molecular characteristics.
DeepChem	Machine-learning model for drug discovery that employs a python-based AI system to find a suitable candidate	(Arora and Bist 2020).
DeepTox	A computer program that forecasts the toxicity of over 12,000 drugs.	(Mayr et al. 2016)
Hit Dexter	A machine-learning technique is being used to predict which molecules will respond to a biological assay.	(Ferreira and Andricopulo 2019)