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Theoretical and Computational Chemistry

Working Paper

Quick and Efficient Quantitative Predictions of Androgen Receptor Binding Affinity for Screening Endocrine Disruptor Chemicals Using 2D-QSAR and Chemical Read-Across

Arkaprava Banerjee, Priyanka De, Vinay Kumar, Supratik Kar, Kunal Roy

Version 1 posted 21 April 2022

590

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1

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Theoretical and Computational Chemistry

Working Paper

A machine learning q-RASPR approach for efficient predictions of the specific surface area of perovskites

Arkaprava Banerjee, Agnieszka Gajewicz-Skretna, Kunal Roy

Version 1 posted 16 November 2022

365

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Theoretical and Computational Chemistry

Working Paper

Quantitative Predictions from Chemical Read-Across and Their Confidence Measures

Arkaprava Banerjee, Mainak Chatterjee, Priyanka De, Kunal Roy

Version 1 posted 30 May 2022

324

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2

Citations

Theoretical and Computational Chemistry

Working Paper

ARKA: A framework of dimensionality reduction for machine-learning classification modeling, risk assessment, and data gap-filling of sparse environmental toxicity data

Arkaprava Banerjee, Kunal Roy

Version 1 posted 29 March 2024

360

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Theoretical and Computational Chemistry

Working Paper

Prediction-inspired intelligent training for the development of c-RASAR models for organic skin sensitizers: Assessment of classification error rate from novel similarity coefficients

Arkaprava Banerjee, Kunal Roy

Version 1 posted 22 May 2023

288

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1

Citations

Theoretical and Computational Chemistry

Working Paper

First report of q-RASAR modeling towards an approach of easy interpretability and efficient transferability

Arkaprava Banerjee, Kunal Roy

Version 1 posted 18 April 2022

422

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2

Citations

Theoretical and Computational Chemistry

Working Paper

From chemical similarity measures to an unconventional modeling framework: The application of c-RASAR along with dimensionality reduction techniques in a representative hepatotoxicity dataset

Arkaprava Banerjee, Kunal Roy

Version 1 posted 22 July 2024

100

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1

Citations

Theoretical and Computational Chemistry

Working Paper

Machine learning-assisted c-RASAR modeling of a curated set of orally active nephrotoxic drugs: Similarity-based predictions from close source neighbors

Arkaprava Banerjee, Kunal Roy

Version 1 posted 22 August 2024

110

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Theoretical and Computational Chemistry

Working Paper

The multiclass ARKA framework for developing improved quantitative RASAR models

Arkaprava Banerjee, Kunal Roy

Version 1 posted 13 January 2025

38

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Theoretical and Computational Chemistry

Working Paper

A Look Into Solubility Variations Via a Novel Nonparametric Additive Characterization

Sampreeti Bhattacharya, Arkaprava Roy

Version 2 posted 22 January 2025

63

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10 results in ARKAPRAVA ROY in Authors: ARKAPRAVA ROY

Quick and Efficient Quantitative Predictions of Androgen Receptor Binding Affinity for Screening Endocrine Disruptor Chemicals Using 2D-QSAR and Chemical Read-Across

A machine learning q-RASPR approach for efficient predictions of the specific surface area of perovskites

Quantitative Predictions from Chemical Read-Across and Their Confidence Measures

ARKA: A framework of dimensionality reduction for machine-learning classification modeling, risk assessment, and data gap-filling of sparse environmental toxicity data

Prediction-inspired intelligent training for the development of c-RASAR models for organic skin sensitizers: Assessment of classification error rate from novel similarity coefficients

First report of q-RASAR modeling towards an approach of easy interpretability and efficient transferability

From chemical similarity measures to an unconventional modeling framework: The application of c-RASAR along with dimensionality reduction techniques in a representative hepatotoxicity dataset

Machine learning-assisted c-RASAR modeling of a curated set of orally active nephrotoxic drugs: Similarity-based predictions from close source neighbors

The multiclass ARKA framework for developing improved quantitative RASAR models

A Look Into Solubility Variations Via a Novel Nonparametric Additive Characterization

10 results in Authors: ARKAPRAVA ROY