Detalhe da pesquisa
1.
Implementation of a tuberculosis elimination project, India 2018-2019.
Bull World Health Organ
; 101(3): 179-190, 2023 Mar 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-36865603
2.
Machine Learning Models for Predicting Molecular UV-Vis Spectra with Quantum Mechanical Properties.
J Chem Inf Model
; 63(5): 1462-1471, 2023 03 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36847578
3.
AI-Accelerated Design of Targeted Covalent Inhibitors for SARS-CoV-2.
J Chem Inf Model
; 63(5): 1438-1453, 2023 03 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-36808989
4.
The potential impact of vaccination on tuberculosis burden in India: A modelling analysis.
Indian J Med Res
; 157(2&3): 119-126, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37202930
5.
Artificial Intelligence for Autonomous Molecular Design: A Perspective.
Molecules
; 26(22)2021 Nov 09.
Artigo
em Inglês
| MEDLINE | ID: mdl-34833853
6.
Shrinking Self-Interaction Errors with the Fermi-Löwdin Orbital Self-Interaction-Corrected Density Functional Approximation.
J Phys Chem A
; 122(48): 9307-9315, 2018 Dec 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-30412407
7.
Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings.
J Chem Phys
; 149(16): 164101, 2018 Oct 28.
Artigo
em Inglês
| MEDLINE | ID: mdl-30384709
8.
A comparative study on effect of news sentiment on stock price prediction with deep learning architecture.
PLoS One
; 18(4): e0284695, 2023.
Artigo
em Inglês
| MEDLINE | ID: mdl-37098089
9.
Experience of "One Stop TB Diagnostic Solution" Model in Engaging a Private Laboratory for End-to-End Diagnostic Services in the National TB Elimination Program in Hisar, India.
Diagnostics (Basel)
; 13(17)2023 Aug 31.
Artigo
em Inglês
| MEDLINE | ID: mdl-37685361
10.
Accurate Prediction of Voltage of Battery Electrode Materials Using Attention-Based Graph Neural Networks.
ACS Appl Mater Interfaces
; 2022 Jun 06.
Artigo
em Inglês
| MEDLINE | ID: mdl-35666275
11.
Machine Learning Screening of Metal-Ion Battery Electrode Materials.
ACS Appl Mater Interfaces
; 13(45): 53355-53362, 2021 Nov 17.
Artigo
em Inglês
| MEDLINE | ID: mdl-34160211
12.
Quantum Mechanical Methods Predict Accurate Thermodynamics of Biochemical Reactions.
ACS Omega
; 6(14): 9948-9959, 2021 Apr 13.
Artigo
em Inglês
| MEDLINE | ID: mdl-33869975
13.
3D-Scaffold: A Deep Learning Framework to Generate 3D Coordinates of Drug-like Molecules with Desired Scaffolds.
J Phys Chem B
; 125(44): 12166-12176, 2021 11 11.
Artigo
em Inglês
| MEDLINE | ID: mdl-34662142
14.
Revealing the Formation Energy-Exfoliation Energy-Structure Correlation of MAB Phases Using Machine Learning and DFT.
ACS Appl Mater Interfaces
; 12(26): 29424-29431, 2020 Jul 01.
Artigo
em Inglês
| MEDLINE | ID: mdl-32495630
15.
Machine Learning the Voltage of Electrode Materials in Metal-Ion Batteries.
ACS Appl Mater Interfaces
; 11(20): 18494-18503, 2019 May 22.
Artigo
em Inglês
| MEDLINE | ID: mdl-31034195
16.
Local Noncollinear Spin Analysis.
J Chem Theory Comput
; 13(12): 6101-6107, 2017 Dec 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-29095612
17.
Magnetic Exchange Couplings in Heterodinuclear Complexes Based on Differential Local Spin Rotations.
J Chem Theory Comput
; 12(4): 1728-34, 2016 Apr 12.
Artigo
em Inglês
| MEDLINE | ID: mdl-26953521
18.
Hexagonal BC3: A Robust Electrode Material for Li, Na, and K Ion Batteries.
J Phys Chem Lett
; 6(14): 2728-32, 2015 Jul 16.
Artigo
em Inglês
| MEDLINE | ID: mdl-26266854
19.
Implementation of a tuberculosis elimination project, India 2018–2019
Bull. W.H.O. (Print)
; 101(3): 179-190, 2023-3-01.
Artigo
em Inglês
| WHOLIS | ID: who-366351