LEADER 04167nam 22006855 450 001 9910298461103321 005 20200706151620.0 010 $a81-322-1780-2 024 7 $a10.1007/978-81-322-1780-0 035 $a(CKB)3710000000119226 035 $a(DE-He213)978-81-322-1780-0 035 $a(SSID)ssj0001237468 035 $a(PQKBManifestationID)11705997 035 $a(PQKBTitleCode)TC0001237468 035 $a(PQKBWorkID)11259102 035 $a(PQKB)10871736 035 $a(MiAaPQ)EBC6313156 035 $a(MiAaPQ)EBC1731504 035 $a(Au-PeEL)EBL1731504 035 $a(CaPaEBR)ebr10969121 035 $a(OCoLC)879644686 035 $a(PPN)178778923 035 $a(EXLCZ)993710000000119226 100 $a20140506d2014 u| 0 101 0 $aeng 135 $aurnn|008mamaa 181 $ctxt$2rdacontent 182 $cc$2rdamedia 183 $acr$2rdacarrier 200 10$aPractical Chemoinformatics$b[electronic resource] /$fby Muthukumarasamy Karthikeyan, Renu Vyas 205 $a1st ed. 2014. 210 1$aNew Delhi :$cSpringer India :$cImprint: Springer,$d2014. 215 $a1 online resource (XXI, 533 p. 621 illus.) 300 $aBibliographic Level Mode of Issuance: Monograph 311 $a81-322-1779-9 320 $aIncludes bibliographical references and index. 327 $aOpen Source Tools, Techniques and Data in Chemoinformatics -- Chemoinformatics Approach for the Design and Screening of focused virtual libraries -- Machine Learning Methods in Chemoinformatics for Drug Discovery -- Docking and pharmacophore modeling for virtual screening -- Active site directed pose prediction programs for efficient filtering of molecules -- Representation, fingerprinting and modeling of chemical reactions -- Predictive methods for Organic Spectral data Simulation -- Chemical Text mining for Lead Discovery -- Integration of Automated Work flow in Chemoinformatics for drug discovery -- Cloud computing Infrastructure development for Chemoinformatics. 330 $aChemoinformatics is equipped to impact our life in a big way mainly in the fields of chemical, medical and material sciences. This book is a product of several years of experience and passion for the subject written in a simple lucid style to attract the interest of the student community who wish to master chemoinformatics as a career. The topics chosen cover the entire spectrum of chemoinformatics activities (methods, data and tools). The algorithms, open source databases, tutorials supporting theory using standard datasets, guidelines, questions and do it yourself exercises will make it valuable to the academic research community. At the same time every chapter devotes a section on development of new software tools relevant for the growing pharmaceutical, fine chemicals and life sciences industry. The book is intended to assist beginners to hone their skills and also constitute an interesting reading for the experts. 606 $aChemoinformatics 606 $aChemistry, Physical and theoretical 606 $aCommunication in chemistry 606 $aComputer Applications in Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C13009 606 $aTheoretical and Computational Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C25007 606 $aDocumentation and Information in Chemistry$3https://scigraph.springernature.com/ontologies/product-market-codes/C14005 615 0$aChemoinformatics. 615 0$aChemistry, Physical and theoretical. 615 0$aCommunication in chemistry. 615 14$aComputer Applications in Chemistry. 615 24$aTheoretical and Computational Chemistry. 615 24$aDocumentation and Information in Chemistry. 676 $a542.85 700 $aKarthikeyan$b Muthukumarasamy$4aut$4http://id.loc.gov/vocabulary/relators/aut$01065137 702 $aVyas$b Renu$4aut$4http://id.loc.gov/vocabulary/relators/aut 801 0$bMiAaPQ 801 1$bMiAaPQ 801 2$bMiAaPQ 906 $aBOOK 912 $a9910298461103321 996 $aPractical Chemoinformatics$92543304 997 $aUNINA