{"product_id":"generative-ai-for-molecular-drug-danny-munrow-9798249319229","title":"Generative AI for Molecular Drug Design with Python: Diffusion Models, VAEs, GANs, and Transformers for Computational Chemistry","description":"\u003cb\u003eReactive Publishing\u003c\/b\u003e\u003cp\u003eArtificial intelligence is reshaping pharmaceutical research by enabling the computational generation of novel molecular structures. \u003ci\u003eGenerative AI for Molecular Drug Design with Python\u003c\/i\u003e provides a technical, implementation-focused guide to building and evaluating generative models for small-molecule discovery.\u003c\/p\u003e\u003cp\u003eThis 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.\u003c\/p\u003e\u003cp\u003eTopics include: \u003c\/p\u003e\u003cul\u003e\n\u003cli\u003e\u003cp\u003eMolecular representations: SMILES, graphs, embeddings, and chemical descriptors\u003c\/p\u003e\u003c\/li\u003e\n\u003cli\u003e\u003cp\u003eVariational Autoencoders (VAEs) for latent space exploration\u003c\/p\u003e\u003c\/li\u003e\n\u003cli\u003e\u003cp\u003eGenerative Adversarial Networks (GANs) for molecular synthesis\u003c\/p\u003e\u003c\/li\u003e\n\u003cli\u003e\u003cp\u003eDiffusion models for structure generation and refinement\u003c\/p\u003e\u003c\/li\u003e\n\u003cli\u003e\u003cp\u003eTransformer architectures applied to sequence-based chemical modeling\u003c\/p\u003e\u003c\/li\u003e\n\u003cli\u003e\u003cp\u003eDataset preparation, validation, and chemical constraint enforcement\u003c\/p\u003e\u003c\/li\u003e\n\u003cli\u003e\u003cp\u003eEvaluating novelty, validity, and synthesizability\u003c\/p\u003e\u003c\/li\u003e\n\u003cli\u003e\u003cp\u003eIntegrating generative models into drug discovery workflows\u003c\/p\u003e\u003c\/li\u003e\n\u003c\/ul\u003e\u003cp\u003ePractical examples leverage PyTorch and common cheminformatics libraries to demonstrate end-to-end model development, from dataset preprocessing to molecular sampling and evaluation.\u003c\/p\u003e\u003cp\u003eDesigned 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.\u003c\/p\u003e\u003cp\u003eThe result is a rigorous, systems-level guide to applying generative AI in modern drug design pipelines.\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Danny Munrow,Livia Arden\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9798249319229\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Independently Published\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 02\/21\/2026\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 576\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Paperback\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 1.68lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 9.00h x 6.00w x 1.17d","brand":"Danny Munrow","offers":[{"title":"Paperback","offer_id":48517144215807,"sku":"9798249319229","price":38.99,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_00355048-6442-42f0-90d6-66274fdafd01.jpg?v=1778730199","url":"https:\/\/www.whiterainbookhouse.com\/products\/generative-ai-for-molecular-drug-danny-munrow-9798249319229","provider":"WR Book House","version":"1.0","type":"link"}