In silico development of novel angiotensin-converting-enzyme-I inhibitors by Monte Carlo optimization based QSAR modeling, molecular docking studies and ADMET predictions.
Sandra SaricTomislav KosticMilan LovicIvana AleksicDejan HristovMiljana SaracAleksandar M. VeselinovicPublished in: Comput. Biol. Chem. (2024)
Keyphrases
- monte carlo
- drug discovery
- monte carlo methods
- monte carlo simulation
- importance sampling
- markov chain
- adaptive sampling
- monte carlo tree search
- stochastic approximation
- parameter optimization
- markovian decision
- particle filter
- monte carlo method
- matrix inversion
- search algorithm
- global illumination
- drug design
- point processes
- biological data
- simulation study
- state space