{ "item_title" : "Generative AI for Molecular Drug Design with Python", "item_author" : [" Danny Munrow", "Livia Arden "], "item_description" : "Reactive PublishingArtificial intelligence is reshaping pharmaceutical research by enabling the computational generation of novel molecular structures. Generative AI for Molecular Drug Design with Python provides a technical, implementation-focused guide to building and evaluating generative models for small-molecule discovery.This book bridges machine learning engineering and computational chemistry. It explores how modern generative architectures can be applied to molecular representation, property prediction, and candidate generation using Python-based tooling.Topics include: Molecular representations: SMILES, graphs, embeddings, and chemical descriptorsVariational Autoencoders (VAEs) for latent space explorationGenerative Adversarial Networks (GANs) for molecular synthesisDiffusion models for structure generation and refinementTransformer architectures applied to sequence-based chemical modelingDataset preparation, validation, and chemical constraint enforcementEvaluating novelty, validity, and synthesizabilityIntegrating generative models into drug discovery workflowsPractical examples leverage PyTorch and common cheminformatics libraries to demonstrate end-to-end model development, from dataset preprocessing to molecular sampling and evaluation.Designed for quantitative researchers, ML engineers, computational chemists, and advanced students, this book focuses on implementation depth rather than high-level theory alone. Readers should have prior familiarity with Python and foundational machine learning concepts.The result is a rigorous, systems-level guide to applying generative AI in modern drug design pipelines.", "item_img_path" : "https://covers2.booksamillion.com/covers/bam/9/79/824/931/9798249319229_b.jpg", "price_data" : { "retail_price" : "38.99", "online_price" : "38.99", "our_price" : "38.99", "club_price" : "38.99", "savings_pct" : "0", "savings_amt" : "0.00", "club_savings_pct" : "0", "club_savings_amt" : "0.00", "discount_pct" : "10", "store_price" : "" } }

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