{"product_id":"cheminformatics-with-python-danny-munrow-9798259009745","title":"Cheminformatics with Python: Molecular Descriptors, Similarity Search, QSAR Modeling, and Screening Workflows","description":"\u003cb\u003eReactive Publishing\u003c\/b\u003e\u003cp\u003e\u003cb\u003eCheminformatics with Python\u003c\/b\u003e is a practical guide to using Python for molecular data analysis, compound comparison, QSAR modeling, and screening workflows.\u003c\/p\u003e\u003cp\u003eDesigned for students, researchers, data scientists, and computational chemistry practitioners, this book introduces the core methods used to represent, analyze, and model chemical structures in modern cheminformatics. It focuses on applied workflows rather than abstract theory, showing how molecular descriptors, fingerprints, similarity measures, and predictive models can be used to support compound analysis and early-stage discovery work.\u003c\/p\u003e\u003cp\u003eInside, readers will learn how to work with molecular datasets, calculate descriptors, compare compounds using similarity search, build QSAR models, evaluate predictive performance, and structure screening workflows using Python-based tools. The book emphasizes reproducible analysis, clear modeling decisions, and practical interpretation of results.\u003c\/p\u003e\u003cp\u003eTopics include: \u003c\/p\u003e\u003cp\u003eMolecular representations and chemical data formats\u003cbr\u003eDescriptor calculation and feature engineering\u003cbr\u003eMolecular fingerprints and similarity search\u003cbr\u003eQSAR modeling concepts and workflows\u003cbr\u003eCompound screening and prioritization\u003cbr\u003eModel validation and performance evaluation\u003cbr\u003ePractical Python-based analysis patterns\u003c\/p\u003e\u003cp\u003eWhether you are entering cheminformatics from chemistry, bioinformatics, data science, or pharmaceutical research, this book provides a structured path for applying Python to molecular analysis and computational discovery workflows.\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e Danny Munrow,Livia Arden\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9798259009745\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e Independently Published\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 04\/26\/2026\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 384\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Paperback\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 1.02lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 9.00h x 6.00w x 0.96d","brand":"Danny Munrow","offers":[{"title":"Paperback","offer_id":48852851982591,"sku":"9798259009745","price":35.99,"currency_code":"USD","in_stock":true}],"url":"https:\/\/www.whiterainbookhouse.com\/products\/cheminformatics-with-python-danny-munrow-9798259009745","provider":"WR Book House","version":"1.0","type":"link"}