Prakash Chandra Rathi

disc

12H指数

19论文数

708被引数

收录论文 10

发表时间

A review on integrated machine learning (ML) and deep learning (DL) driven AI models for pharmacokinetics and toxicokinetics predictions, and their application 关于用于药代动力学和毒代动力学预测的集成机器学习 (ML) 和深度学习 (DL) 驱动的AI模型及其应用的综述

Drug Metabolism and Disposition

IF4

2026-01-22

OAAI

M. Malarvannan; S. Monohar; Kate Sanskruti Sitaram; Isha Taneja; Swati Jaiswal; Bhupesh Pratap; Prakash C. Rathi; Shikha Thakur; David Paul; Muhammad Wahajuddin

Augmenting DMTA using predictive AI modelling at AstraZeneca 在阿斯利康使用预测AI模型增强DMTA

DRUG DISCOVERY TODAY

IF7.5

2024-04-01

OAAI

Ghiandoni, Gian Marco; Evertsson, Emma; Riley, David J.; Tyrchan, Christian; Rathi, Prakash Chandra

Practical High-Quality Electrostatic Potential Surfaces for Drug Discovery Using a Graph-Convolutional Deep Neural Network

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2019-09-25

101

OAAI

Rathi, Prakash Chandra; Ludlow, R. Frederick; Verdonk, Marcel L.

Predicting Hot and Warm Spots for Fragment Binding

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2017-04-21

PREAI

Rathi, Prakash Chandra; Ludlow, R. Frederick; Hall, Richard J.; Murray, Christopher W.; Mortenson, Paul N.; Verdonk, Marcel L.

Protein-Ligand Informatics Force Field (PLIff): Toward a Fully Knowledge Driven Force Field for Biomolecular Interactions

JOURNAL OF MEDICINAL CHEMISTRY

IF6.8

2016-07-07

PREAI

Verdonk, Marcel L.; Ludlow, R. Frederick; Giangreco, Ilenia; Rathi, Prakash Chandra

Design and synthesis of novel Y-shaped barbituric acid derivatives as PPARγ activators

EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

IF5.9

2016-01-01

PREAI

Dixit, Vaibhav A.; Rathi, Prakash Chandra; Bhagat, Shweta; Gohlke, Holger; Petersen, Rasmus K.; Kristiansen, Karsten; Chakraborti, Asit K.; Bharatam, Prasad V.

Quality Matters: Extension of Clusters of Residues with Good Hydrophobic Contacts Stabilize (Hyper)Thermophilic Proteins

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2014-01-28

OAAI

Rathi, Prakash Chandra; Hoeffken, Hans Wolfgang; Gohlke, Holger

CNA web server: rigidity theory-based thermal unfolding simulations of proteins for linking structure, (thermo-)stability, and function

NUCLEIC ACIDS RESEARCH

IF13.1

2013-04-22

OAAI

Krueger, Dennis M.; Rathi, Prakash Chandra; Pfleger, Christopher; Gohlke, Holger