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Showing results for "kunal roy"

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Showing 1 - 12 of 23 Results

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2025

EN

When words fail, emotions speak…This book is a heartfelt collection of sad shayari and poems that flow straight from the soul. Each verse captures the raw pain of heartbreak, the silence of loneliness, and the depth of unspoken feelings.Written in simple yet powerful words, these shayaris reflect the emotions we all carry within — love, loss, longing, and tears that never find their voice. Every page will make you relive a memory, touch an old wound, or whisper a truth you ...

2026

EN

Accessible

Cheminformatic Modelling and Data Gap Filling for a Green and Sustainable Environment covers the theory and practices of chemical informatics, focusing on modeling various properties and endpoints related to chemicals for improved chemical management and the design of safer chemicals to promote environmental sustainability. Across four sections, the book outlines modeling techniques such as quantitative structure–property relationship (QSPR), read-across, and machine learning for modeling ...

167,47 €

One Day, Ladakh

One Day Ladakh, #1

2025

EN

One Day Ladakh is more than just a travel story; it's the journey of a dreamer chasing the rugged beauty of the Himalayas. From the first spark of adventure to the thrilling preparation for the ultimate ride, this book captures the excitement, challenges, and determination of a young rider. Follow the highs and lows as he navigates family responsibilities, financial hurdles, and the inner conflicts of chasing a dream that seems distant yet irresistible.Through personal experiences,...

1,99 €

Activity Cliffs

Where QSAR Predictions Fail

2026

EN

Accessible

This brief introduces the readers of predictive cheminformatics to the concept of cliffs in the structure-activity landscape, which may greatly affect the data set modelability and the quality of predictions, hence generating disappointment from the performance of Quantitative Structure-Activity Relationship (QSAR) models. Although QSAR models are based on the assumption of a smooth activity landscape, where similar molecules are expected to have similar activities, some similar molecules ...

47,69 €

2025

EN

Accessible

The Springer Handbook of Chem- and Bioinformatics provides an introduction as well as a detailed description of the application of various techniques used in chemo- and bioinformatics. It covers basic topics such as a discussion of computational techniques used in the predictions of structures, properties, and dynamics of small compounds, macromolecules, and their complexes. Diverse applications of QSAR methods are also revealed. Various chapters offer specifics of current methodo...

380,64 €

q-RASAR

A Path to Predictive Cheminformatics

2024

EN

Accessible

This brief offers an introduction to the fascinating new field of quantitative read-across structure-activity relationships (q-RASAR) as a cheminformatics modeling approach in the background of quantitative structure-activity relationships (QSAR) and read-across (RA) as data gap-filling methods. It discusses the genesis and model development of q-RASAR models demonstrating practical examples. It also showcases successful case studies on the application of q-RASAR modeling in medicinal chem...

47,69 €

2023

EN

Cheminformatics, QSAR and Machine Learning Applications for Novel Drug Development aims at showcasing different structure-based, ligand-based, and machine learning tools currently used in drug design. It also highlights special topics of computational drug design together with the available tools and databases. The integrated presentation of chemometrics, cheminformatics, and machine learning methods under is one of the strengths of the book.The first part of the content is devoted to esta...

171,07 €

2021

EN

CHEMOMETRICS AND CHEMINFORMATICS IN AQUATIC TOXICOLOGYExplore chemometric and cheminformatic techniques and tools in aquatic toxicologyChemometrics and Cheminformatics in Aquatic Toxicology delivers an exploration of the existing and emerging problems of contamination of the aquatic environment through various metal and organic pollutants, including industrial chemicals, pharmaceuticals, cosmetics, biocides, nanomaterials, pesticid...

190,99 €

Materials Informatics II

Software Tools and Databases

2025

EN

Accessible

This contributed volume explores the application of machine learning in predictive modeling within the fields of materials science, nanotechnology, and cheminformatics. It covers a range of topics, including electronic properties of metal nanoclusters, carbon quantum dots, toxicity assessments of nanomaterials, and predictive modeling for fullerenes and perovskite materials. Additionally, the book discusses multiscale modeling and advanced decision support systems for nanomaterial risk man...

208,92 €

Materials Informatics III

Polymers, Solvents and Energetic Materials

2025

EN

Accessible

This contributed volumefocuses on the application of machine learning and cheminformatics in predictive modeling for organic materials, polymers, solvents, and energetic materials. It provides an in-depth look at how machine learning is utilized to predict key properties of polymers, deep eutectic solvents, and ionic liquids, as well as to improve safety and performance in the study of energetic and reactive materials. With chapters covering polymer informatics, quantitative structure–prop...

208,92 €

In Silico Drug Design

Repurposing Techniques and Methodologies

2019

EN

In Silico Drug Design: Repurposing Techniques and Methodologies explores the application of computational tools that can be utilized for this approach. The book covers theoretical background and methodologies of chem-bioinformatic techniques and network modeling and discusses the various applied strategies to systematically retrieve, integrate and analyze datasets from diverse sources. Other topics include in silico drug design methods, computational workflows for drug repurposing, and net...

139,59 €

2025

EN

Accessible

This contributed volume explores the integration of machine learning and cheminformatics within materials science, focusing on predictive modeling techniques. It begins with foundational concepts in materials informatics and cheminformatics, emphasizing quantitative structure-property relationships (QSPR). The volume then presents various methods and tools, including advanced QSPR models, quantitative read-across structure-property relationship (q-RASPR) models, optimization strategies wit...

266,16 €