Robust regression and outlier detection
Robust regression and outlier detection
Genetic programming (videotape): the movie
Genetic programming (videotape): the movie
Neural Networks: A Comprehensive Foundation
Neural Networks: A Comprehensive Foundation
Neural Networks in Chemistry and Drug Design
Neural Networks in Chemistry and Drug Design
Genetic programming for human oral bioavailability of drugs
Proceedings of the 8th annual conference on Genetic and evolutionary computation
Improving symbolic regression with interval arithmetic and linear scaling
EuroGP'03 Proceedings of the 6th European conference on Genetic programming
Using Operator Equalisation for Prediction of Drug Toxicity with Genetic Programming
EPIA '09 Proceedings of the 14th Portuguese Conference on Artificial Intelligence: Progress in Artificial Intelligence
On the use of genetic programming for the prediction of survival in cancer
Proceedings of the 12th annual conference on Genetic and evolutionary computation
EvoBIO'10 Proceedings of the 8th European conference on Evolutionary Computation, Machine Learning and Data Mining in Bioinformatics
Operator equalisation for bloat free genetic programming and a survey of bloat control methods
Genetic Programming and Evolvable Machines
Genetic programming needs better benchmarks
Proceedings of the 14th annual conference on Genetic and evolutionary computation
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Computational methods allowing reliable pharmacokinetics predictions for newly synthesized compounds are critically relevant for drug discovery and development. Here we present an empirical study focusing on various versions of Genetic Programming and other well known Machine Learning techniques to predict Median Oral Lethal Dose (LD50) and Plasma Protein Binding (%PPB) levels. Since these two parameters respectively characterize the harmful effects and the distribution into human body of a drug, their accurate prediction is essential for the selection of effective molecules. The obtained results confirm that Genetic Programming is a promising technique for predicting pharmacokinetics parameters, both from the point of view of the accurateness and of the generalization ability.