Introduction to Chemoinformatics in Drug Discovery – A Personal View
Garland R. Marshall · Methods and principles in medicinal chemistry · 2005
This chapter contains sections titled: Introduction Historical Evolution Known versus Unknown Targets Graph Theory and Molecular Numerology Pharmacophore Active-Analog Approach Active-Site Modeling Validation of the Active-Analog Approach and Active-Site Modeling PLS/CoMFA Prediction of Affinity Protein Structure Prediction Structure-Based Drug Design Real World Pharmaceutical Issues Combinatorial Chemistry and High-throughput Screens Diversity and Similarity Prediction of ADME Failures to Accurately Predict Summary