Evaluation guidelines for machine learning tools in the chemical sciences
Andreas Bender, Nadine Schneider, Marwin Segler, W. Patrick Walters, Ola Engkvist, Tiago Rodrigues
Topics & Concepts
WorkflowComputer scienceCredibilityTransparency (behavior)Data scienceRelevance (law)ChecklistCompleteness (order theory)Artificial intelligenceManagement sciencePsychologyEpistemologyEngineeringPolitical scienceMathematicsDatabaseComputer securityMathematical analysisLawPhilosophyCognitive psychologyMachine Learning in Materials ScienceComputational Drug Discovery Methods