Algorithmic Innovations in Machine Learning for Drug Discovery and Pharmaceutical Innovations

Algorithmic advancements in machine learning have transformed drug discovery and pharmaceutical innovation. This study examines how machine learning might speed medication development and pharmaceutical innovation. Data from genomes, chemistry, and clinical trials is collected to start the research. Careful data cleansing, normalization, and feature engineering prepare the data for model building. Random Forest, SVM, NN, Decision Tree, and Logistic Regression are tested for prediction. ROC AUC results show that Random Forest is the most accurate model at 86%. Ensemble approaches have drug discovery potential. Beyond accuracy, models are assessed for precision, false positive, and false negative rates. Drug discovery relies on precision to measure positive predictions. The Random Forest model makes the most accurate positive predictions at 0.87. However, false positives and negatives also matter in drug discovery. The Decision Tree model contains the falsest positives (35), underlining the need to reduce them to save resources. The Neural Network approach reduces false negatives to 12, ensuring good medication candidates are not overlooked. The results show that different machine learning models have trade-offs, underscoring the necessity for a personalized strategy depending on objectives and restrictions. Algorithmic breakthroughs in pharmaceutical innovation reduce medication development time by 40% and cost by 25%, according to the study.