{"product_id":"computational-approaches-for-the-prediction-george-c-shields-9781138199910","title":"Computational Approaches for the Prediction of pKa Values","description":"\u003cp\u003eThe acidity or basicity of a compound under various conditions is a crucial property for the action and detection of the compound as a drug, pollutant, or other active chemical agent. Thus, the ability to predict pK\u003csub\u003ea\u003c\/sub\u003e values using theoretical methods is extremely useful. This book describes the insights that have been gained on the intrinsic and extrinsic features that influence a molecule's acidity and examines the computational methods developed to estimate acidity from a compound's molecular structure. It presents techniques for both general and specific applications.\u003c\/p\u003e\u003cbr\u003e\u003cbr\u003e\u003cb\u003eAuthor:\u003c\/b\u003e George C. Shields,Paul G. Seybold\u003cbr\u003e\u003cb\u003eISBN-10:\u003c\/b\u003e 1138199915\u003cbr\u003e\u003cb\u003eISBN-13:\u003c\/b\u003e 9781138199910\u003cbr\u003e\u003cb\u003ePublisher:\u003c\/b\u003e CRC Press\u003cbr\u003e\u003cb\u003eLanguage:\u003c\/b\u003e English\u003cbr\u003e\u003cb\u003ePublished:\u003c\/b\u003e 10\/18\/2017\u003cbr\u003e\u003cb\u003ePages:\u003c\/b\u003e 175\u003cbr\u003e\u003cb\u003eFormat:\u003c\/b\u003e Paperback\u003cbr\u003e\u003cb\u003eWeight:\u003c\/b\u003e 0.57lbs\u003cbr\u003e\u003cb\u003eSize:\u003c\/b\u003e 9.21h x 6.14w x 0.38d","brand":"George C. Shields","offers":[{"title":"Paperback","offer_id":48444020850943,"sku":"9781138199910","price":110.99,"currency_code":"USD","in_stock":true}],"thumbnail_url":"\/\/cdn.shopify.com\/s\/files\/1\/0662\/2982\/9887\/files\/img_eaf026f2-5a52-4858-a876-4de0ef461bc9.jpg?v=1777209460","url":"https:\/\/www.whiterainbookhouse.com\/products\/computational-approaches-for-the-prediction-george-c-shields-9781138199910","provider":"WR Book House","version":"1.0","type":"link"}